SCHEMBL20346152

SCHEMBL20346152

CCCCOc1ccc(CCc2ccc(CCC)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL20346160 0.96 S1PR1 (0.39) GLASMN1; SMN2CTSLCTSSCTSK
SCHEMBL20346150 0.93 FFAR4 (0.40) GLASMN1; SMN2CNR2CYP1A2CYP2C9
SCHEMBL20346147 0.89 GABRA1 (0.40) CTSLCTSSCTSKMAPK1
SCHEMBL20346156 0.89 S1PR1 (0.39) GLASMN1; SMN2CNR2APAF1MAPT
SCHEMBL9060258 0.86 ALOX5 (0.39) GLASMN1; SMN2PPARGPPARDPPARA
SCHEMBL21869910 0.85 CNR2 (0.39) GLASMN1; SMN2CTSLCTSSCTSK
SCHEMBL9406154 0.85 GABRA1 (0.40) CTSLCTSSCTSKALDH1A1MAPT
SCHEMBL9061450 0.84 ALOX5 (0.38) PPARGPPARDPPARA
SCHEMBL14766029 0.84 CYP3A4 (0.40) SMN1; SMN2CTSLCTSSCTSKCNR2
SCHEMBL14766518 0.84 CYP3A4 (0.40) SMN1; SMN2CTSLCTSSCTSKCNR2

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-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed