SCHEMBL7345531

SCHEMBL7345531

CCCCCCC(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.55
LPAR1 Q92633 4/20 0.53
LPAR3 Q9UBY5 4/20 0.53
ENPP2 Q13822 1/20 0.53
IL1RN P18510 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
REN P00797 2/20 0.52
YAP1 P46937 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PSMB1 P20618 2/20 0.49
PSMB2 P49721 2/20 0.49

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
SCHEMBL7345529 1.00 PSMB5 (0.55) PSMB5LPAR1LPAR3ENPP2IL1RN
SCHEMBL7343222 0.93 IL1RN (0.55) PSMB5IL1RNERAP2ERAP1REN
SCHEMBL7343224 0.93 IL1RN (0.55) PSMB5IL1RNERAP2ERAP1REN
SCHEMBL7344233 0.90 IL1RN (0.56) PSMB5IL1RNERAP2ERAP1REN
SCHEMBL7344241 0.90 IL1RN (0.56) PSMB5IL1RNERAP2ERAP1REN
SCHEMBL7337118 0.88 REN (0.52) IL1RNERAP2ERAP1REN
SCHEMBL7337124 0.88 REN (0.52) IL1RNERAP2ERAP1REN
SCHEMBL7348608 0.88 REN (0.51) IL1RNERAP2ERAP1RENYAP1
SCHEMBL7348604 0.88 REN (0.51) IL1RNERAP2ERAP1RENYAP1
SCHEMBL7337332 0.87 REN (0.51) IL1RNERAP2ERAP1RENYAP1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed