SCHEMBL11191067

SCHEMBL11191067

O=C(NCCc1ccccc1)c1cc(Cl)ccc1N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ CNR1 P21554 2/20 0.51
▸ HTT P42858 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50
▸ CXCR3 P49682 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL11191291 1.00 HSD17B10 (0.57) HSD17B10TSHRNPC1RAB9ALMNA
SCHEMBL11188865 0.93 POLB (0.56) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL11200112 0.90 POLB (0.52) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL11181842 0.90 POLB (0.52) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL11191646 0.90 POLB (0.52) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL10356773 0.90 MCHR1 (0.55) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL11165965 0.90 MCHR1 (0.55) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL11165531 0.90 MCHR1 (0.55) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL11220179 0.90 MCHR1 (0.54) POLBCNR1MCHR1
SCHEMBL11189302 0.89 POLB (0.52) POLBCNR1HTTMCHR1

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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