SCHEMBL11198118

SCHEMBL11198118

CCc1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EGFR P00533 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CNR1 P21554 5/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL11178712 0.91 POLB (0.55) POLBHSD17B10TSHRKDM4EGAA
SCHEMBL11200220 0.89 POLB (0.54) POLBHSD17B10TSHREGFRCDK2
SCHEMBL10356773 0.87 MCHR1 (0.55) POLBHSD17B10TSHRCNR1MAPT
SCHEMBL11165965 0.87 MCHR1 (0.55) POLBHSD17B10TSHRCNR1MAPT
SCHEMBL11194691 0.87 POLB (0.52) POLBHSD17B10TSHRKDM4EGAA
SCHEMBL11165531 0.87 MCHR1 (0.55) POLBHSD17B10TSHRCNR1MAPT
SCHEMBL11441498 0.86 MCHR1 (0.56) POLBGAACNR1MAPTMCHR1
SCHEMBL11442018 0.85 ALDH1A1 (0.55) POLBHSD17B10TSHRKDM4EGAA
SCHEMBL11173931 0.84 POLB (0.49) POLBHSD17B10TSHRKDM4EGAA
SCHEMBL11302230 0.83 MCHR1 (0.60) POLBCNR1MAPTMCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP claimed
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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