SCHEMBL9163095

SCHEMBL9163095

O=C(OCO)[C@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MAPK1 P28482 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2D6 P10635 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.46
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
BLM P54132 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10787054 0.85 LMNA (0.58) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL26611026 0.84 LMNA (0.52) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL821932 0.84 LMNA (0.52) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL4297584 0.82 MMP8 (0.57) LMNAMAPK1CES2CES1SMN1; SMN2
SCHEMBL28289571 0.82 LMNA (0.54) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL279960 0.82 MMP8 (0.57) LMNAMAPK1CES2CES1SMN1; SMN2
SCHEMBL1275430 0.82 LMNA (0.54) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL3266292 0.82 MMP8 (0.57) LMNAMAPK1CES2CES1SMN1; SMN2
SCHEMBL27590464 0.82 MMP8 (0.57) LMNAMAPK1CES2CES1SMN1; SMN2
SCHEMBL27721038 0.81 LMNA (0.48) LMNAMAPK1CES2CES1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110157251-A Curing agent composition and coating composition comprising it KCC公司 2019-08-23 CN disclosed
EP-0453504-B1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE CANCER RES CAMPAIGN TECH (GB) 1995-04-12 EP disclosed
EP-0453504-B1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE CANCER RES CAMPAIGN TECH (GB) 1995-04-12 EP disclosed
US-5373092-A Derivatives of hydroxymethoxy mandelic acid (HMMA), homovanillic acid (HVA), antibodies and labelled substances prepared therefrom, and immunoassays using these CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-13 US disclosed
US-5373092-A Derivatives of hydroxymethoxy mandelic acid (HMMA), homovanillic acid (HVA), antibodies and labelled substances prepared therefrom, and immunoassays using these CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-13 US disclosed
US-5373092-A Derivatives of hydroxymethoxy mandelic acid (HMMA), homovanillic acid (HVA), antibodies and labelled substances prepared therefrom, and immunoassays using these CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-13 US disclosed
US-5266720-A Labels for compounds CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-11-30 US disclosed
US-5266720-A Labels for compounds CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-11-30 US disclosed
US-5266720-A Labels for compounds CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-11-30 US disclosed
EP-0453504-A1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE. CANCER RESEARCH CAMPAIGN (GB) 1991-10-30 EP disclosed
EP-0453504-A1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE. CANCER RESEARCH CAMPAIGN (GB) 1991-10-30 EP disclosed
WO-1990008133-A1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1990-07-26 WO disclosed
WO-1990008133-A1 DERIVATIVES OF HYDROXYMETHOXY MANDELIC ACID (HMMA), HOMOVANILLIC ACID (HVA), ANTIBODIES AND LABELLED SUBSTANCES PREPARED THEREFROM, AND IMMUNOASSAYS USING THESE CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1990-07-26 WO disclosed