SCHEMBL11193046

SCHEMBL11193046

CC1CCCN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MCHR1 Q99705 2/20 0.46
▸ POLB P06746 3/20 0.45
▸ EGFR P00533 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CXCR3 P49682 1/20 0.43
▸ GPBAR1 Q8TDU6 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL11191065 0.89 MAPT (0.54) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL11164561 0.89 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11164525 0.89 MAPT (0.46) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11441498 0.87 MCHR1 (0.56) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL10356773 0.86 MCHR1 (0.55) MAPTMCHR1POLBCNR1CXCR3
SCHEMBL11165965 0.86 MCHR1 (0.55) MAPTMCHR1POLBCNR1CXCR3
SCHEMBL11165531 0.86 MCHR1 (0.55) MAPTMCHR1POLBCNR1CXCR3
SCHEMBL11199912 0.84 NPC1 (0.45) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11190019 0.84 MAPT (0.45) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL11193056 0.84 MAPT (0.46) MAPTHPGDNPC1RAB9ATP53

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
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
Send feedback