SCHEMBL18540263

SCHEMBL18540263

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.40
PRSS1 P07477 4/20 0.40
F2 P00734 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
GPR52 Q9Y2T5 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK1 P06870 2/20 0.38
TMPRSS2 O15393 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HGFAC Q04756 1/20 0.37

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
SCHEMBL18540251 1.00 THRB (0.42) THRBMAPTSMN1; SMN2TP53PRSS1
SCHEMBL18540261 0.94 MAPT (0.45) THRBMAPTSMN1; SMN2TP53PRSS1
SCHEMBL18540162 0.93 THRB (0.40) THRBMAPTSMN1; SMN2TP53PRSS1
SCHEMBL18540255 0.91 THRB (0.45) THRBMAPTSMN1; SMN2TP53PRSS1
SCHEMBL18540055 0.89 PRSS1 (0.47) THRBMAPTSMN1; SMN2PRSS1F2
SCHEMBL18540073 0.88 PRSS1 (0.46) THRBMAPTSMN1; SMN2PRSS1F2
SCHEMBL18540053 0.87 THRB (0.49) THRBMAPTSMN1; SMN2TP53PRSS1
SCHEMBL18540269 0.86 RARB (0.40) THRBMAPTSMN1; SMN2PRSS1GPR52
SCHEMBL9305285 0.86 PARP10 (0.50) THRBMAPTGPR52KMT2APARP10
SCHEMBL8912455 0.86 PARP10 (0.50) THRBMAPTGPR52KMT2APARP10

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