SCHEMBL9506941

SCHEMBL9506941

CCOC(=O)CCCCCC(c1ccccc1)c1c(C)c(C)cc(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.51
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
ALOX5 P09917 1/20 0.37
FAAH O00519 2/20 0.37

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
SCHEMBL9508176 0.80 TBXA2R (0.47) TBXA2RALOX5
SCHEMBL9066613 0.77 TBXA2R (0.65) TBXA2RALDH1A1
SCHEMBL9507218 0.77 TBXA2R (0.76) TBXA2RCYP3A4CYP2D6KMT2AUSP2
SCHEMBL7831302 0.76 MEN1 (0.50) TBXA2RCYP3A4CYP2D6CYP2C19CYP4F2
SCHEMBL9019219 0.76 TBXA2R (0.61) TBXA2R
SCHEMBL711239 0.76 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL7833010 0.75 TNF (0.46) TBXA2RCYP3A4CYP2D6CYP2C19CYP4F2
SCHEMBL7833020 0.75 CYP4F2 (0.41) TBXA2RCYP3A4CYP2D6CYP2C19CYP4F2
SCHEMBL28633131 0.74 SMN1; SMN2 (0.51) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL9508183 0.74 TBXA2R (0.64) TBXA2RCYP3A4CYP2D6CYP2C19ALDH1A1

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
EP-0295037-B1 PHENOL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-08-18 EP disclosed
US-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0295037-A2 Phenol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-12-14 EP disclosed