SCHEMBL11173931

SCHEMBL11173931

N#Cc1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ CSF1R P07333 2/20 0.48
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ CTSK P43235 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ GPBAR1 Q8TDU6 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL11178712 0.88 POLB (0.55) POLBHSD17B10TSHRGAAALDH1A1
SCHEMBL10356773 0.84 MCHR1 (0.55) POLBHSD17B10TSHRMAPTMCHR1
SCHEMBL11194691 0.84 POLB (0.52) POLBHDAC1HDAC8HDAC6HSD17B10
SCHEMBL11198118 0.84 POLB (0.54) POLBHSD17B10TSHRGAAALDH1A1
SCHEMBL11165531 0.84 MCHR1 (0.55) POLBHSD17B10TSHRMAPTMCHR1
SCHEMBL11200220 0.84 POLB (0.54) POLBHSD17B10TSHRGAAALDH1A1
SCHEMBL11165965 0.84 MCHR1 (0.55) POLBHSD17B10TSHRMAPTMCHR1
SCHEMBL11441498 0.83 MCHR1 (0.56) POLBGAAMAPTMCHR1RAB9A
SCHEMBL11442018 0.81 ALDH1A1 (0.55) POLBHSD17B10TSHRGAAALDH1A1
SCHEMBL11302230 0.81 MCHR1 (0.60) POLBMAPTMCHR1

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