SCHEMBL318774

SCHEMBL318774

N#Cc1ccc(OC(CO)C2CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PGR P06401 2/20 0.41
TRPV4 Q9HBA0 2/20 0.37

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
SCHEMBL4751606 0.76 PGR (0.44) ARMRGPRX4PGRTRPV4
SCHEMBL4200960 0.75 SLC6A2 (0.49) AR
SCHEMBL177449 0.75 AR (0.53) ARMRGPRX4PGRTRPV4
SCHEMBL225912 0.74 MRGPRX4 (0.48) ARMRGPRX4TRPV4
SCHEMBL3916499 0.74 MRGPRX4 (0.43) ARMRGPRX4PGRTRPV4
SCHEMBL26127201 0.71 AR (0.49) ARMRGPRX4PGRTRPV4
SCHEMBL964004 0.71 SLC6A2 (0.43) ARPGR
SCHEMBL964001 0.71 SLC6A2 (0.43) ARPGR
SCHEMBL963999 0.71 SLC6A2 (0.43) ARPGR
SCHEMBL964002 0.71 SLC6A2 (0.43) ARPGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590930-B1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI SA (FR) 2015-02-25 EP disclosed
EP-2590930-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed