SCHEMBL18540261

SCHEMBL18540261

C/C=C/CCc1ccc(C(=O)Oc2ccc(-c3ccc(CC/C=C/C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
THRB P10828 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PRSS1 P07477 6/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
GPR52 Q9Y2T5 2/20 0.43
KLK1 P06870 2/20 0.42
TMPRSS2 O15393 1/20 0.42
ACR P10323 3/20 0.40
HGFAC Q04756 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18540055 0.96 PRSS1 (0.47) MAPTTHRBSMN1; SMN2PRSS1F2
SCHEMBL18540073 0.94 PRSS1 (0.46) MAPTTHRBSMN1; SMN2PRSS1F2
SCHEMBL18540251 0.94 THRB (0.42) MAPTTHRBSMN1; SMN2TP53PRSS1
SCHEMBL18540263 0.94 THRB (0.42) MAPTTHRBSMN1; SMN2TP53PRSS1
SCHEMBL18540155 0.90 MAPT (0.42) MAPTTHRBSMN1; SMN2TP53PRSS1
SCHEMBL18540040 0.90 PRSS1 (0.43) MAPTTHRBSMN1; SMN2PRSS1F2
SCHEMBL18540164 0.89 MAPT (0.41) MAPTTHRBSMN1; SMN2TP53PRSS1
SCHEMBL18540274 0.88 THRB (0.40) MAPTTHRBSMN1; SMN2TP53PRSS1
SCHEMBL18540067 0.88 RXRA (0.49) MAPTSMN1; SMN2KMT2A
SCHEMBL18540162 0.86 THRB (0.40) MAPTTHRBSMN1; 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