SCHEMBL29048868

SCHEMBL29048868

C=C(Cc1ccccc1)C(=CC)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ARG2 P78540 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12095508 0.79 CES1 (0.55) CES1CES2AKR1B1MAOBMEN1
SCHEMBL367454 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL7923429 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL265774 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL13461367 0.76 CES1 (0.46) CES1CES2AKR1B1MAOBMEN1
SCHEMBL649122 0.76 CES1 (0.46) CES1CES2AKR1B1MAOBMEN1
SCHEMBL28310293 0.75 CES1 (0.50) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL4740994 0.73 CYP3A4 (0.52) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL21081470 0.73 CYP3A4 (0.52) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL4740992 0.73 CYP3A4 (0.52) CYP3A4CYP2C9CES1CES2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778947-B Polymer composition and pressure sensitive adhesive or film prepared from same 台橡股份有限公司 2023-10-27 CN disclosed
CN-112778685-B Polymer composition and fiber or nonwoven fabric produced by using the same 台橡股份有限公司 2023-08-08 CN disclosed
CN-116253835-A Method for producing conjugated diene polymer, and conjugated diene polymer, rubber and tire obtained thereby 台橡股份有限公司 2023-06-13 CN disclosed