SCHEMBL9836743

SCHEMBL9836743

CCOC(=O)CCCc1sccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CYP4Z1 Q86W10 2/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL28315461 0.92 CYP4F2 (0.45) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11
SCHEMBL23449026 0.81 LTB4R (0.35) ALOX5SMN1; SMN2ALDH1A1TDP1
SCHEMBL9381926 0.76 ALOX5 (0.50) ALOX5CYP4F2CYP4A11SMN1; SMN2CYP1A2
SCHEMBL2082912 0.76 HIF1A (0.40) CYP1A2CYP3A4ALDH1A1HSD17B10ALOX15
SCHEMBL17428932 0.73 CYP2A6 (0.36) ALDH1A1TSHRTDP1
SCHEMBL15609435 0.73 STING1 (0.33)
Ethylene SCHEMBL8219135 0.73 HIF1A (0.38) CYP1A2CYP3A4ALDH1A1HSD17B10ALOX15
SCHEMBL2652907 0.73 ALDH1A1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13575460 0.72 CYP4F2 (0.50) CYP4Z1CYP4F2CYP4A11SMN1; SMN2CYP1A2
SCHEMBL27615151 0.72 CYP4F2 (0.49) CYP4Z1CYP4F2CYP4A11SMN1; SMN2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed