SCHEMBL21594436

SCHEMBL21594436

CCCCCCc1ccc2c(c1)c1cc(CCCCCC)ccc1n2-c1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
TRPM2 O94759 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL23822841 1.00 RORA (0.44) RORARORCRORBTRPM2FAAH
SCHEMBL21594498 0.96 RORA (0.41) RORARORCRORBTRPM2FAAH
SCHEMBL21594505 0.93 RORA (0.41) RORARORCRORBTRPM2FAAH
SCHEMBL21594506 0.91 RORA (0.44) RORARORCRORBFAAHMGLL
SCHEMBL21594316 0.91 RORA (0.44) RORARORCRORBFAAHMGLL
SCHEMBL21594433 0.91 RORA (0.44) RORARORCRORBFAAHMGLL
SCHEMBL21594496 0.89 RORA (0.46) RORARORCRORBFAAHMGLL
SCHEMBL21591020 0.89 RORA (0.46) RORARORCRORBFAAHMGLL
SCHEMBL31070053 0.89 RORA (0.46) RORARORCRORBFAAHMGLL
SCHEMBL23822846 0.86 TSHR (0.50) RORARORCRORBFAAHMGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238532-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2019-12-19 WO disclosed