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SCHEMBL7953780

SCHEMBL7953780

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ TAS1R3 Q7RTX0 5/20 0.41
▸ TAS1R1 Q7RTX1 5/20 0.41
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 4/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 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
SCHEMBL6964463 0.88 MMP13 (0.43) MAPTTP53LMNAPOLBMMP13
SCHEMBL6964984 0.84 MMP13 (0.39) MAPTTP53THRBMMP13
SCHEMBL6970413 0.81 BCHE (0.47) KDM4EMAPTPKM
SCHEMBL6977156 0.80 GPR119 (0.40) MMP13
SCHEMBL7951214 0.79 TGFBR1 (0.44) KDM4EMMP13PKM
SCHEMBL6976765 0.79 MYC (0.39) KDM4EMMP13PKM
SCHEMBL6963135 0.79 STS (0.48) KDM4EMAPTTP53LMNATHRB
SCHEMBL6964258 0.79 MMP13 (0.50) KDM4ELMNAMMP13PKM
SCHEMBL6976930 0.78 TGFBR1 (0.45) MAPTMMP13
SCHEMBL6964185 0.78 GPR119 (0.48) MMP13

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-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 — — US disclosed