SCHEMBL7477639

SCHEMBL7477639

O=C(O)c1ccc(-c2ccc3[nH]c(Cc4ccccc4C(=O)O)cc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
F2 P00734 3/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DHODH Q02127 1/20 0.38
CYCS P99999 1/20 0.38

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
SCHEMBL7483897 0.89 F2 (0.45) TSHRF2DCLRE1ADCLRE1BCA1
SCHEMBL7482853 0.87 HRH3 (0.50) TSHRF2ATMHRH3KDM4E
SCHEMBL7475485 0.80 MMP12 (0.42) TSHRF2CA1CA2CA9
SCHEMBL7474003 0.79 HRH3 (0.60) TSHRF2ATMHRH3KDM4E
SCHEMBL977626 0.76 F2 (0.70) TSHRF2CASP3SENP8SENP7
SCHEMBL12597050 0.72 PPARG (0.55) TSHRIDO1
SCHEMBL27732343 0.70 F2 (0.56) F2CASP3SENP8SENP7SENP6
SCHEMBL7077495 0.70 AHR (0.51) F2KDM4EALDH1A1HPGD
SCHEMBL27874722 0.70 TSHR (0.60) TSHRDCLRE1ADCLRE1BCA1CA2
SCHEMBL5396487 0.70 NPC1 (0.47) F2KDM4EALDH1A1KMT2AIDO1

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-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed