SCHEMBL20346147

SCHEMBL20346147

CCCc1ccc(CCc2ccc(OCC)c(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CALM1 P0DP23 3/20 0.39
MAPK1 P28482 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL9406154 0.95 GABRA1 (0.40) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12735553 0.90 CTSL (0.41) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12740092 0.90 CTSL (0.41) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL20346149 0.90 FFAR4 (0.43) CTSLCTSSCTSKCALM1MAPK1
SCHEMBL20346152 0.89 GLA (0.40) CTSLCTSSCTSKMAPK1
SCHEMBL19240522 0.88 CTSL (0.47) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10301920 0.87 CTSL (0.44) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL21165800 0.87 HTR1A (0.45) MAPK1SIRT2
SCHEMBL9406582 0.86 RARB (0.41) MAPK1USP2HSD17B10KMT2A
SCHEMBL9406733 0.86 FFAR4 (0.41) GABRA1GABRB2CALM1MAPK1FFAR4

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