SCHEMBL6301337

SCHEMBL6301337

CCOc1ccc(Cn2c(C)nc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
ALOX5AP P20292 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
VDR P11473 4/20 0.42
NR1H4 Q96RI1 4/20 0.42
DCTPP1 Q9H773 1/20 0.42
MAPT P10636 2/20 0.41
ACSS2 Q9NR19 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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 0.92 PPARG (0.56) PPARGALOX5APTSHRVDRNR1H4
SCHEMBL6301097 0.92 PPARG (0.52) PPARGALOX5APALDH1A1TSHRSMN1; SMN2
SCHEMBL6301607 0.91 PPARG (0.58) PPARGTSHR
SCHEMBL7657817 0.91 PPARG (0.51) PPARGALOX5APKDM4EALDH1A1TSHR
SCHEMBL6303646 0.90 PPARG (0.57) PPARGTSHR
SCHEMBL6308005 0.90 PPARG (0.57) PPARGTSHR
SCHEMBL6489299 0.90 PPARG (0.45) PPARGALOX5APVDRNR1H4
SCHEMBL6308619 0.90 DCTPP1 (0.51) PPARGALOX5APKDM4EHSD17B10DCTPP1
SCHEMBL6303322 0.89 PPARG (0.49) PPARGALOX5APDCTPP1HDAC3HDAC4
SCHEMBL6309396 0.88 S1PR1 (0.50) PPARGALOX5APVDRNR1H4ACSS2

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 3 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
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed