SCHEMBL5907413

SCHEMBL5907413

OCCCc1ccc2ccccc2c1CCCO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 4/20 0.46
TAAR1 Q96RJ0 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 2/20 0.41
PTPN22 Q9Y2R2 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL2000695 0.93 HSD17B10 (0.46) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL34420036 0.88 HSD17B10 (0.44) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29227179 0.85 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1683213 0.85 HSD17B10 (0.52) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
Monoethanolamine SCHEMBL7927881 0.82 NCEH1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29832803 0.81 NCEH1 (0.51) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6315107 0.81 ALDH1A1 (0.50) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL761100 0.81 NCEH1 (0.51) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1843301 0.81 PTPN22 (0.48) PTPN22
SCHEMBL6919402 0.80 NCEH1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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
US-20060030642-A1 Phenolic resin and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-02-09 US disclosed
US-6992166-B2 Phenolic resin and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-31 US disclosed
US-20040044161-A1 Phenolic resin and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-03-04 US disclosed