SCHEMBL6061327

SCHEMBL6061327

O=C(O)C(CC(CC(C(=O)O)C1CCCCC1)(CC(C(=O)O)C1CCCCC1)C(CO)(CO)CCO)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9813698 0.72 CYP2C9 (0.47) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL1862561 0.69 CYP2C9 (0.45) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL9566037 0.69 CYP2C9 (0.49) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL11812886 0.68 CYP2C9 (0.42) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL14796467 0.67 RNPEP (0.34)
SCHEMBL8133196 0.66 ALDH1A1 (0.55) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL506450 0.66 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
Cyclohexane SCHEMBL253223 0.66 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
Cyclohexane SCHEMBL7426845 0.66 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL258779 0.66 ALDH1A1 (0.55) CYP2C9CYP2C19HIF1ACPN1CPB2

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
US-20060232726-A1 Cellulose acylate film, optical compensation film, method of producing cellulose acylate film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2006-10-19 US disclosed