SCHEMBL11186679

SCHEMBL11186679

COC1CCN(c2ccc(Br)cc2C(=O)NCCc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ TOP2A P11388 2/20 0.42
▸ DRD3 P35462 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39

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
SCHEMBL11199855 0.89 DNMT3A (0.48) POLBMAPTLMNA
SCHEMBL11194691 0.85 POLB (0.52) POLBTOP2AMAPTALDH1A1NPC1
SCHEMBL11298652 0.82 TOP2A (0.41) POLBTOP2AMAPTPTGDR2SMN1; SMN2
SCHEMBL11183138 0.79 EGFR (0.43) POLBTOP2AMAPTOPRM1OPRD1
SCHEMBL11102512 0.79 MYC (0.50) MAPTOPRK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11191065 0.78 MAPT (0.54) POLBMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL11193056 0.77 MAPT (0.46) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11178712 0.76 POLB (0.55) POLBMAPTALDH1A1TSHRCYP2D6
SCHEMBL11182439 0.76 LMNA (0.48) POLBMAPTPTGDR2SMN1; SMN2NPC1
SCHEMBL11214411 0.76 LMNA (0.43) POLBMAPTNPC1RAB9ATNKS

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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