SCHEMBL9320213

SCHEMBL9320213

Cc1cccc(C(=O)c2cccc(C(C)C)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CXCL8 P10145 1/20 0.56
THPO P40225 1/20 0.56
HIF1A Q16665 1/20 0.56
PARP1 P09874 1/20 0.52

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
SCHEMBL11756980 0.91 MAPT (0.65) MAPTPTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL24600462 0.88 MAPT (0.59) MAPTPTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL17358343 0.88 CNR2 (0.51) MAPTPTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL764365 0.85 MAPT (0.74) MAPTPTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL186545 0.84 PARP1 (0.68) SMN1; SMN2HPGDPARP1POLBMEN1
SCHEMBL29503529 0.84 PARP1 (0.68) SMN1; SMN2HPGDPARP1POLBMEN1
SCHEMBL15264066 0.82 PARP1 (0.65) SMN1; SMN2HPGDPARP1POLBMEN1
SCHEMBL822041 0.81 PARP1 (0.63) SMN1; SMN2ALDH1A1LMNAHPGDPARP1
SCHEMBL15315477 0.79 PTGS1 (0.53) MAPTPTGS1PTGS2SMN1; SMN2CXCR1
SCHEMBL11615210 0.79 PARP1 (0.61) SMN1; SMN2LMNAHPGDPARP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395990-B1 Copolymers curable by ultraviolet radiation under air oxygen atmosphere BASF AG (DE) 1994-01-05 EP disclosed
EP-0395990-A2 Copolymers curable by ultraviolet radiation under air oxygen atmosphere BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed