SCHEMBL6301604

SCHEMBL6301604

Cc1nc2ccc(C(=O)O)cc2n1Cc1ccc(COc2ccccc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
VDR P11473 5/20 0.45
NR1H4 Q96RI1 5/20 0.45
ACSS2 Q9NR19 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
ALOX5AP P20292 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL6303779 0.91 PPARG (0.46) PPARGACSS2HDAC1HDAC6
SCHEMBL6309396 0.91 S1PR1 (0.50) PPARGVDRNR1H4ACSS2MRGPRX4
SCHEMBL6167846 0.86 NR4A2 (0.52) PPARGVDRNR1H4HDAC1HDAC6
SCHEMBL7660169 0.86 PTGER1 (0.44) PPARGHDAC1HDAC6MRGPRX4ALOX5AP
SCHEMBL27467424 0.85 PPARG (0.49) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6309647 0.85 PPARG (0.54) PPARGACSS2HDAC1HDAC6ALOX5AP
SCHEMBL7651458 0.85 PPARG (0.56) PPARGNR1H4ACSS2HDAC1HDAC6
SCHEMBL7654248 0.84 PPARG (0.52) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303963 0.84 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6303966 0.84 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4

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 4 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
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 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