SCHEMBL16319238

SCHEMBL16319238

CCOC(=O)CC(c1cccc(CBr)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
FFAR1 O14842 7/20 0.39
TP53 P04637 2/20 0.39
F2 P00734 3/20 0.38
PRSS1 P07477 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR2 O15552 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16318904 0.89 F10 (0.41) F10FFAR1TP53F2PRSS1
SCHEMBL18501546 0.85 F10 (0.39) F10FFAR1TP53F2PRSS1
SCHEMBL17428337 0.84 OPRD1 (0.44) F10FFAR1ALDH1A1FFAR2
SCHEMBL17418579 0.84 OPRD1 (0.44) F10FFAR1ALDH1A1FFAR2
SCHEMBL17428343 0.84 OPRD1 (0.44) F10FFAR1ALDH1A1FFAR2
SCHEMBL16318614 0.83 FFAR1 (0.38) F10FFAR1TP53F2PRSS1
SCHEMBL18506432 0.83 MAPT (0.38) F10FFAR1F2PRSS1ALDH1A1
SCHEMBL18506430 0.83 MAPT (0.38) F10FFAR1F2PRSS1ALDH1A1
SCHEMBL12193231 0.79 OPRD1 (0.42) FFAR1TP53ALDH1A1TSHR
SCHEMBL12193233 0.79 OPRD1 (0.42) FFAR1TP53ALDH1A1TSHR

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
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed