SCHEMBL19618992

SCHEMBL19618992

CC(Cc1ccccc1)C(=O)O[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.47
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27389541 0.81 CPA1 (0.53) CPA1
SCHEMBL27692711 0.81 CPA1 (0.45) CPA1
SCHEMBL29034485 0.81 ALPI (0.56) CPA1
SCHEMBL27623586 0.81 CPA1 (0.47) CPA1
SCHEMBL2800996 0.81 ALPI (0.56) CPA1
SCHEMBL15635730 0.79 CPA1 (0.54) CPA1
SCHEMBL20506887 0.78 CPA1 (0.45) CPA1
SCHEMBL517463 0.78 ALDH1A1 (0.60) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL2600694 0.78 ALDH1A1 (0.60) HPGDCYP3A4TSHRNPC1RAB9A
SCHEMBL17761604 0.78 ALDH1A1 (0.60) HPGDCYP3A4TSHRNPC1RAB9A

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
EP-3458042-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE Proponent Biotech GmbH (CH) 2019-03-27 EP disclosed
WO-2017198701-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2017-11-23 WO disclosed
CN-100376242-C 2-aryl-propionic acid and medicine composition containing same DOMPAY CO LTD (IT) 2008-03-26 CN disclosed
CN-1612729-A 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPAY CO LTD (IT) 2005-05-04 CN disclosed