SCHEMBL9064167

SCHEMBL9064167

OCc1c2ccccc2cc2ccccc12.c1ccc2c(c1)Cc1ccccc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
GPR35 Q9HC97 2/20 0.38
CYP2C9 P11712 1/20 0.37
TRPM4 Q8TD43 1/20 0.36
EPHX1 P07099 1/20 0.36
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
NQO2 P16083 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
SCHEMBL59671 0.88 HTR2A (0.60) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL29367221 0.88 HTR2A (0.60) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
Methane SCHEMBL27842569 0.86 HTR2A (0.58) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
Ethane SCHEMBL1070226 0.84 HTR2A (0.56) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
Alcohol SCHEMBL2553967 0.82 HTR2A (0.54) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
Acetic Acid SCHEMBL2222014 0.77 ALDH1A1 (0.52) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL7938136 0.76 HTR2A (0.47) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2400428 0.74 HTR2A (0.46) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL1073563 0.74 L3MBTL1 (0.50) HTR2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2397529 0.74 HTR2A (0.46) HTR2AL3MBTL1ALDH1A1KDM4EHPGD

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
EP-0483863-B1 Poly(vinyl chloride)-based resin composition TOSOH CORP (JP) 1996-01-03 EP disclosed
EP-0483863-A2 Poly(vinyl chloride)-based resin composition TOSOH CORPORATION (JP) 1992-05-06 EP disclosed