SCHEMBL11200220

SCHEMBL11200220

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.49
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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) POLBALDH1A1GAAL3MBTL1KDM4E
SCHEMBL11198118 0.89 POLB (0.54) POLBALDH1A1EGFRCDK2GAA
SCHEMBL11165531 0.87 MCHR1 (0.55) POLBLMNATSHRHSD17B10MAPT
SCHEMBL10356773 0.87 MCHR1 (0.55) POLBLMNATSHRHSD17B10MAPT
SCHEMBL11165965 0.87 MCHR1 (0.55) POLBLMNATSHRHSD17B10MAPT
SCHEMBL11194691 0.87 POLB (0.52) POLBALDH1A1LMNAGAAL3MBTL1
SCHEMBL11441498 0.86 MCHR1 (0.56) POLBLMNAGAASMN1; SMN2NPC1
SCHEMBL11442018 0.85 ALDH1A1 (0.55) POLBALDH1A1LMNAGAAL3MBTL1
SCHEMBL11312023 0.84 POLB (0.48) POLBALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL11173931 0.84 POLB (0.49) POLBALDH1A1GAAL3MBTL1KDM4E

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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