SCHEMBL28429147

SCHEMBL28429147

CCCc1cc(C)c(O)c(CO)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.69
PTGS2 P35354 5/20 0.42
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CASP6 P55212 1/20 0.41
HTT P42858 3/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
VDR P11473 1/20 0.35
CYP3A4 P08684 1/20 0.34
LMNA P02545 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
SCHEMBL11436525 0.89 SHBG (0.65) SHBGPTGS2PTGS1KDM4ECASP6
SCHEMBL1021110 0.88 SHBG (0.52) SHBGPTGS2PTGS1HTTALDH1A1
SCHEMBL4452928 0.88 SHBG (0.50) SHBGPTGS2KDM4ECASP6HTT
SCHEMBL29611970 0.86 SHBG (0.55) SHBGPTGS2PTGS1HTTALDH1A1
SCHEMBL1023359 0.86 SHBG (0.50) SHBGPTGS2PTGS1HTTALDH1A1
SCHEMBL225765 0.84 SHBG (0.52) SHBGPTGS2PTGS1HTTALDH1A1
SCHEMBL25446766 0.84 SHBG (0.74) SHBGPTGS2PTGS1KDM4ECASP6
SCHEMBL283462 0.84 SHBG (0.80) SHBGPTGS2PTGS1KDM4ECASP6
SCHEMBL542181 0.83 PTGS2 (0.55) SHBGPTGS2PTGS1KDM4EHTT
SCHEMBL1073200 0.83 NPC1 (0.48) SHBGPTGS2PTGS1HTTNPC1

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