SCHEMBL11199912

SCHEMBL11199912

CC1CN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DNMT3A Q9Y6K1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL11164525 0.89 MAPT (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11164561 0.89 MAPT (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11190019 0.88 MAPT (0.45) NPC1RAB9AMAPTLMNADNMT3A
SCHEMBL11191065 0.85 MAPT (0.54) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL11193046 0.84 MAPT (0.53) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL11441498 0.83 MCHR1 (0.56) NPC1RAB9AMAPTLMNADNMT3A
SCHEMBL11194495 0.83 EGFR (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11165965 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6POLB
SCHEMBL10356773 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6POLB
SCHEMBL11165531 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6POLB

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
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