SCHEMBL18540255

SCHEMBL18540255

C=CCCc1ccc(C(=O)Oc2ccc(-c3ccc(CCC=C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.45
MAPT P10636 5/20 0.44
PARP10 Q53GL7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PRSS1 P07477 3/20 0.43
F2 P00734 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TMPRSS2 O15393 1/20 0.41
KLK1 P06870 1/20 0.41
HGFAC Q04756 1/20 0.40
RAB9A P51151 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39

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
SCHEMBL18540053 0.95 THRB (0.49) THRBMAPTPARP10SMN1; SMN2TP53
SCHEMBL9305285 0.94 PARP10 (0.50) THRBMAPTPARP10KMT2AALDH1A1
SCHEMBL8912455 0.94 PARP10 (0.50) THRBMAPTPARP10KMT2AALDH1A1
SCHEMBL18540075 0.94 THRB (0.47) THRBMAPTPARP10SMN1; SMN2TP53
SCHEMBL18540263 0.91 THRB (0.42) THRBMAPTPARP10SMN1; SMN2TP53
SCHEMBL18540251 0.91 THRB (0.42) THRBMAPTPARP10SMN1; SMN2TP53
SCHEMBL18540162 0.89 THRB (0.40) THRBMAPTPARP10SMN1; SMN2TP53
SCHEMBL8913348 0.88 THRB (0.61) THRBMAPTPARP10SMN1; SMN2PRSS1
SCHEMBL9303442 0.88 KMT2A (0.49) THRBMAPTPARP10SMN1; SMN2PRSS1
SCHEMBL8913018 0.88 KMT2A (0.56) THRBMAPTSMN1; SMN2TP53PRSS1

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-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed