SCHEMBL7735238

SCHEMBL7735238

COc1ccc(C(=O)CCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 2/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 2/20 0.55
FFAR1 O14842 1/20 0.55
HIF1A Q16665 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CTSA P10619 1/20 0.52
CTNNB1 P35222 3/20 0.51
WNT3A P56704 3/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.49
NR4A2 P43354 1/20 0.49
SYK P43405 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL7737426 0.89 KMT2A (0.50) SMN1; SMN2LMNARAB9AHPGDALDH1A1
SCHEMBL14241376 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2LMNARAB9AHPGD
SCHEMBL17485108 0.84 CTSA (0.50) SMN1; SMN2LMNARAB9AHPGDALDH1A1
SCHEMBL402416 0.82 CA12 (0.62) LMNARAB9AALDH1A1CTSAKMT2A
SCHEMBL1527427 0.82 CTNNB1 (0.73) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL29923058 0.82 CTNNB1 (0.73) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9524595 0.80 SYK (0.63) SMN1; SMN2LMNAALDH1A1CTSAKMT2A
SCHEMBL11710256 0.80 CTSA (0.49) SMN1; SMN2LMNARAB9AHPGDALDH1A1
SCHEMBL5188941 0.79 ALDH1A1 (0.59) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL35823 0.79 PTGS2 (0.58) SMN1; SMN2LMNARAB9AHIF1AALDH1A1

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
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed