SCHEMBL19985576

SCHEMBL19985576

C/C=C/CCC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.32
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
USP30 Q70CQ3 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
OPRL1 P41146 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL4549752 0.95 USP30 (0.32) CCNT1CDK9USP30HTR1ADRD2
SCHEMBL8935500 0.94 ALOX5AP (0.34) FPR2ALOX5APFEN1
SCHEMBL18820318 0.92 USP30 (0.31) USP30HTR1ADRD2DRD4DRD3
SCHEMBL8962903 0.92 ALOX5AP (0.33) FPR2ALOX5APFEN1
SCHEMBL19985577 0.90 FPR2 (0.32) FPR2
SCHEMBL15723079 0.89
SCHEMBL19985544 0.88 FPR2 (0.33) FPR2CYP2D6KCNH2GRIN2BALOX5AP
SCHEMBL14137831 0.87 FPR2 (0.33) FPR2CCNT1CDK9ALOX5APFEN1
SCHEMBL19985574 0.87 FPR2 (0.34) FPR2ALOX5APFEN1HTR2B
SCHEMBL19985572 0.86 ALOX5 (0.35) FPR2ALOX5APFEN1

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed