SCHEMBL5800623

SCHEMBL5800623

CCCCc1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C)c(O)c(CCCC)c2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
DGKA P23743 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALOX5 P09917 1/20 0.41
CNR2 P34972 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.40
APP P05067 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
SCHEMBL9940328 0.99 ESR1 (0.51) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491267 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491288 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491242 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491210 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491218 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL537697 0.92 ESR1 (0.42) ESR1DGKAALDH1A1TDP1ALOX5
SCHEMBL17491344 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491223 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3
SCHEMBL17491280 0.92 ESR1 (0.52) ESR1DGKAALDH1A1AKR1C4AKR1C3

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
WO-2020031958-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE SHEET, CURED FILMS OF THESE PRODUCTS AND METHODS FOR PRODUCING SAID CURED FILMS, AND ELECTRONIC COMPONENT 東レ株式会社 2020-02-13 WO disclosed
WO-2006071057-A1 POLYURETHANE ELASTIC FIBER HAVING EXCELLENT FRICTION PROPERTY AND ADDITIVE HYOSUNG CORPORATION (KR) 2006-07-06 WO disclosed
US-4929591-A MULTILAYER, HEAT TRANSFER SHEETS DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1990-05-29 US disclosed