SCHEMBL10907614

SCHEMBL10907614

Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C(=O)Nc3cc(O)c(S(=O)(=O)O)c4ccccc34)c2)cc1C(=O)Nc1cc(O)c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ BRAF P15056 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ AVPR2 P30518 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 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
SCHEMBL11340304 0.93 CA12 (0.41) LMNAPOLBHSD17B10RAB9ATSHR
SCHEMBL10909172 0.87 LMNA (0.43) LMNAPOLBMAPTHSD17B10RAB9A
SCHEMBL10908768 0.84 PPARG (0.41) LMNAPOLBMAPTHSD17B10RAB9A
SCHEMBL10909636 0.83 BRAF (0.41) LMNAPOLBMAPTHSD17B10RAB9A
SCHEMBL10909707 0.82 CD40 (0.45) POLBMAPTKMT2AHPGDMEN1
SCHEMBL10907651 0.81 NPC1 (0.45) HSD17B10RAB9AKCNMA1KMT2AALDH1A1
SCHEMBL11338535 0.80 TRPV1 (0.46) LMNAPOLBMAPTHSD17B10RAB9A
SCHEMBL10905295 0.80 PPARG (0.41) LMNAPOLBMAPTHSD17B10RAB9A
SCHEMBL10909173 0.79 LMNA (0.41) LMNAPOLBMAPTMAOBPPARG
SCHEMBL10908002 0.79 DHODH (0.43) LMNAPOLBMAPTRAB9ACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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