SCHEMBL28895481

SCHEMBL28895481

CCOCc1cc(C(CC)c2cc(COCC)c(O)c(COCC)c2)cc(COCC)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.36
BCHE P06276 2/20 0.33
TYR P14679 2/20 0.33
ACHE P22303 2/20 0.33
CYP17A1 P05093 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL16434643 0.85 ALOX5 (0.33) HKDC1ALOX5CYP3A4TDP1ALDH1A1
SCHEMBL28425566 0.83 PRKCE (0.44) HKDC1BCHETYRACHECYP17A1
SCHEMBL16451536 0.80 CYP3A4 (0.37) ALOX5CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL17190784 0.80 CYP3A4 (0.37) ALOX5CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL3289296 0.78 GABRA1 (0.44) HKDC1BCHETYRACHECYP17A1
SCHEMBL22724730 0.78 CA1 (0.39) ALOX5CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL22724750 0.76 AMY1A (0.42) ALOX5CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6419844 0.76 ALOX5 (0.36) ALOX5CYP1A2CYP3A4CYP2C9LMNA
SCHEMBL27986303 0.76 SHBG (0.39) HKDC1BCHETYRACHECYP17A1
SCHEMBL15947585 0.75 SHBG (0.47) ALOX5CYP3A4ESR1TDP1ALDH1A1

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-107077070-B Photosensitive resin composition, cured film, element provided with cured film, and method for manufacturing semiconductor device 东丽株式会社 2020-06-16 CN disclosed