SCHEMBL16212676

SCHEMBL16212676

CCCCCCCC(CCCCCC)C(=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.53
▸ CDK2 P24941 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LNPEP Q9UIQ6 3/20 0.48
▸ ERAP2 Q6P179 3/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ CTSG P08311 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ IL1RN P18510 1/20 0.44

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
SCHEMBL29656807 0.88 BIRC2 (0.64) BIRC2CDK2KMT2ANPSR1LNPEP
SCHEMBL27910970 0.81 HDAC1 (0.66) NPSR1MDM4MDM2HDAC1HDAC6
SCHEMBL2337076 0.81 HDAC1 (0.66) NPSR1MDM4MDM2HDAC1HDAC6
SCHEMBL18220518 0.81 HDAC1 (0.66) NPSR1MDM4MDM2HDAC1HDAC6
SCHEMBL14472130 0.81 HDAC1 (0.66) NPSR1MDM4MDM2HDAC1HDAC6
SCHEMBL14472192 0.81 HDAC1 (0.66) NPSR1MDM4MDM2HDAC1HDAC6
Hydrochloric Acid SCHEMBL29094270 0.80 ESR1 (0.52) BIRC2CDK2CNR1CNR2KMT2A
Hydrochloric Acid SCHEMBL29094271 0.80 ESR1 (0.52) BIRC2CDK2CNR1CNR2KMT2A
SCHEMBL42986 0.79 HDAC1 (0.64) CNR1CNR2NPSR1LNPEPMDM4
SCHEMBL43741 0.79 HDAC1 (0.64) CNR1CNR2NPSR1LNPEPMDM4

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
WO-2014177406-A1 COMPOSITION COMPRISING AT LEAST THREE ACTIVE AGENTS FOR COLOURING AND/OR PIGMENTING KERATIN MATERIALS L'OREAL (FR) 2014-11-06 — — WO claimed
WO-2014177406-A1 COMPOSITION COMPRISING AT LEAST THREE ACTIVE AGENTS FOR COLOURING AND/OR PIGMENTING KERATIN MATERIALS L'OREAL (FR) 2014-11-06 — — WO disclosed
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