SCHEMBL7936370

SCHEMBL7936370

NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 2/20 0.57
ERAP2 Q6P179 2/20 0.57
LNPEP Q9UIQ6 1/20 0.57
IL1RN P18510 1/20 0.56
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55

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
SCHEMBL7048052 1.00 ERAP1 (0.57) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL7048050 1.00 ERAP1 (0.57) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL29577523 0.99 ERAP1 (0.56) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL29577107 0.99 ERAP1 (0.56) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL30271245 0.97 ERAP1 (0.54) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL30797170 0.97 OPRM1 (0.57) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL30414279 0.96 OPRM1 (0.58) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL29619512 0.95 OPRM1 (0.52) ERAP1ERAP2LNPEPIL1RNOPRM1
SCHEMBL30671563 0.95 LTA4H (0.58) ERAP1ERAP2
SCHEMBL29577130 0.94 LTA4H (0.57) ERAP1ERAP2

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-6180662-B1 MIXTURE OF CINNAMIC ACID, ANTIOXIDANT, ENZYME, MICROBIOCIDES AND VIRICIDES BEIERSDORF AG (DE) 2001-01-30 US disclosed
US-5952373-A APPLYING TO THE SKIN AN EFFECTIVE AMOUNT OF ONE OR MORE FLAVONOIDS BEIERSDORF AG (DE) 1999-09-14 US disclosed
EP-0721347-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS Beiersdorf Aktiengesellschaft (DE) 1996-07-17 EP disclosed
WO-1995005852-A1 AGENT AGAINST SENSITIVE, HYPERREACTIVE AND HYPOACTIVE STATES OF THE SKIN, FORMS OF ACNE, ATOPIC DERMATITIDES, PSORIASIS, PRURIGO, PHOTODERMATOSES, ICHTHYOSIS AND VIRAL INFECTIONS BEIERSDORF AG (DE) 1995-03-02 WO disclosed