SCHEMBL29236175

SCHEMBL29236175

CCCCCOC1(C#N)C=CC(c2ccc(-c3ccccc3)cc2)=CC1.CCCCOC1(C#N)C=CC(c2ccc(-c3ccccc3)cc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 2/20 0.33
NR5A2 O00482 1/20 0.33
LTA4H P09960 1/20 0.33
RARB P10826 3/20 0.32
ALDH1A1 P00352 3/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
PTPN1 P18031 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29137817 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL29137823 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL29137839 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL29236280 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL29236110 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL25187775 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL29236228 0.98 NR5A1 (0.35) NR5A1NR5A2RARBALDH1A1KDM4E
SCHEMBL3480934 0.96 NR5A1 (0.34) NR5A1NR5A2LTA4HALDH1A1USP2
SCHEMBL9300431 0.95 NR5A1 (0.36) NR5A1NR5A2LTA4HL3MBTL1PTPN1
SCHEMBL8450878 0.95 NR5A1 (0.36) NR5A1NR5A2LTA4HL3MBTL1PTPN1

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
CN-118235072-A Optical film and polarizing plate 东曹株式会社 2024-06-21 CN disclosed