SCHEMBL26249015

SCHEMBL26249015

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 2/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAOA P21397 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL22724730 0.94 CA1 (0.39) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL26248979 0.86 HSPA5 (0.41) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL26248973 0.86 AMY1A (0.39) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL10451855 0.85 DHFR (0.43) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL16451536 0.83 CYP3A4 (0.37) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL17190784 0.83 CYP3A4 (0.37) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL5023947 0.82 GABRA1 (0.55) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL16451545 0.82 GABRA1 (0.39) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL10450415 0.82 GABRA1 (0.39) GABRA1GABRB2CYP3A4CYP1A2CYP2C9
SCHEMBL28800893 0.82 DHFR (0.38) GABRA1GABRB2CYP3A4CYP1A2CYP2C9

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
US-20230324801-A1 UNDERLAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY, UNDERLAYER FILM, AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-12 US disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed