SCHEMBL15445707

SCHEMBL15445707

Cc1ccc(C(=O)C2CCC(C)CC2)c(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR1F P30939 2/20 0.33
P2RX7 Q99572 1/20 0.33
CLCN2 P51788 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
GRM1 Q13255 1/20 0.33
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CPS1 P31327 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL15445724 0.96 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL15445706 0.88 HPGD (0.37) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL15445705 0.86 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2HPGDSMN1; SMN2
SCHEMBL12205092 0.86 HPGD (0.46) TAS1R3TAS1R1TAS1R2HPGDSMN1; SMN2
SCHEMBL15445729 0.85 HPGD (0.35) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL15445740 0.84
SCHEMBL15446030 0.84
SCHEMBL15445718 0.82 POLB (0.33) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL15445726 0.82 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2HPGDSMN1; SMN2
SCHEMBL14866526 0.82 HPGD (0.43) TAS1R3TAS1R1TAS1R2HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714381-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-25 US disclosed
US-9580653-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20160046863-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-02-18 US disclosed
US-20150322342-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150166890-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
US-20140028964-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-01-30 US disclosed