SCHEMBL9757439

SCHEMBL9757439

CC#CC(O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA4 P22748 1/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 6/20 0.35
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL4963146 0.74 MTNR1A (0.38) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL9155903 0.74 LMNA (0.38) LMNAMTNR1AMTNR1BCA4GAA
SCHEMBL5389038 0.71 POLB (0.38) LMNAMTNR1AMTNR1BCA4FFAR1
SCHEMBL15709 0.70 LMNA (0.52) LMNAMTNR1AMTNR1BCA4GAA
Benzene SCHEMBL28097669 0.70 LMNA (0.52) LMNAMTNR1AMTNR1BCA4GAA
SCHEMBL167127 0.70 LMNA (0.52) LMNAMTNR1AMTNR1BCA4GAA
SCHEMBL10596047 0.69 LTA4H (0.45) LMNAMTNR1AMTNR1BCA4GAA
SCHEMBL598536 0.69 LTA4H (0.45) LMNAMTNR1AMTNR1BCA4GAA
SCHEMBL14880143 0.69 LMNA (0.50) LMNAMTNR1AMTNR1BCA4GAA
Hydrochloric Acid SCHEMBL12613519 0.69 LMNA (0.50) LMNAMTNR1AMTNR1BCA4GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3206070-A None JP disclosed
CN-103003367-A Curable resin composition and cured product DAICEL CORP 2013-03-27 CN disclosed
CN-101003631-B Heavy release control agent and non-solvent silicone composition for release paper using the same SHINETSU CHEMICAL CO 2012-03-21 CN disclosed
JP-H03206070-A PHENOXYALKYNE CARBAMATE DERIVATIVE AND HERBICIDE CONTAINING SAME DERIVATIVE CENTRAL GLASS CO LTD 1991-09-09 JP disclosed