SCHEMBL6301097

SCHEMBL6301097

CCCOc1ccc(Cn2c(C)nc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
KMT2A Q03164 1/20 0.43
ALOX5AP P20292 2/20 0.42
VDR P11473 3/20 0.42
NR1H4 Q96RI1 3/20 0.42
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
DCTPP1 Q9H773 1/20 0.40
UBE2N P61088 1/20 0.40
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIN1 Q13526 1/20 0.40
DHODH Q02127 1/20 0.40
ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL6303584 0.96 PPARG (0.56) PPARGALOX5APVDRNR1H4AGTR1
SCHEMBL6301607 0.95 PPARG (0.58) PPARGAGTR1AGTR2TSHR
SCHEMBL6308005 0.94 PPARG (0.57) PPARGAGTR1AGTR2TSHR
SCHEMBL6303646 0.94 PPARG (0.57) PPARGAGTR1AGTR2TSHR
SCHEMBL6301337 0.92 PPARG (0.51) PPARGALOX5APVDRNR1H4DCTPP1
SCHEMBL6303322 0.91 PPARG (0.49) PPARGALOX5APDCTPP1PIN1
SCHEMBL6301570 0.90 PPARG (0.51) PPARGKMT2AALOX5APDCTPP1GALR3
SCHEMBL7651488 0.90 MAPK1 (0.46) PPARGKMT2AALOX5APVDRNR1H4
SCHEMBL6308619 0.88 DCTPP1 (0.51) PPARGALOX5APAGTR1AGTR2DCTPP1
SCHEMBL6308646 0.87 PPARG (0.56) PPARGALOX5APDCTPP1GALR3ALDH1A1

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-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed