SCHEMBL15548899

SCHEMBL15548899

COC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.49
FPR2 P25090 3/20 0.49
FFAR1 O14842 1/20 0.44
CPS1 P31327 8/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 2/20 0.40
SLC9A1 P19634 1/20 0.40

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
SCHEMBL15430492 1.00 FPR1 (0.49) FPR1FPR2FFAR1CPS1MTNR1A
SCHEMBL14480439 0.87 FFAR1 (0.47) FPR1FPR2FFAR1CPS1KDM1A
SCHEMBL10289079 0.87 FFAR1 (0.47) FPR1FPR2FFAR1CPS1KDM1A
SCHEMBL10288350 0.87 FFAR1 (0.47) FPR1FPR2FFAR1CPS1KDM1A
SCHEMBL2133690 0.87 FFAR1 (0.47) FPR1FPR2FFAR1CPS1KDM1A
SCHEMBL2133123 0.87 CA1 (0.45) FPR1FPR2FFAR1CPS1
SCHEMBL15428484 0.84 FPR1 (0.35) FPR1FPR2
SCHEMBL15428485 0.84 CYP1A2 (0.37) FPR1FPR2
SCHEMBL15548710 0.84 FPR1 (0.35) FPR1FPR2
SCHEMBL1920197 0.84 FPR1 (0.48) FPR1FPR2CPS1

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-2855419-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS Boehringer Ingelheim International GmbH (DE) 2015-04-08 EP disclosed
WO-2013178575-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARB OXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 WO disclosed