SCHEMBL9508183

SCHEMBL9508183

CCOC(=O)CCCCCC(c1ccc(F)cc1)c1c(C)c(Cl)c(C)c(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.64
FAAH O00519 1/20 0.39
SLC6A3 Q01959 3/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9507194 0.86 TBXA2R (0.79) TBXA2RFAAHSLC6A3ALOX15CYP3A4
SCHEMBL9509230 0.84 TBXA2R (0.60) TBXA2RFAAHSLC6A3ALOX15CYP3A4
SCHEMBL9509216 0.82 TBXA2R (0.62) TBXA2RFAAHSLC6A3ALOX15CYP3A4
SCHEMBL9509227 0.82 TBXA2R (0.62) TBXA2RFAAHSLC6A3ALOX15CYP3A4
SCHEMBL9699697 0.76 TBXA2R (0.63) TBXA2RSLC6A3CYP3A4ALDH1A1KMT2A
SCHEMBL9699510 0.75 TBXA2R (0.82) TBXA2RSLC6A3KCNH2
SCHEMBL8743284 0.74 TBXA2R (0.80) TBXA2RSLC6A3KCNH2
SCHEMBL8743288 0.74 TBXA2R (0.80) TBXA2RSLC6A3KCNH2
SCHEMBL8743202 0.74 TBXA2R (0.80) TBXA2RSLC6A3KCNH2
SCHEMBL8743215 0.74 TBXA2R (0.80) TBXA2RSLC6A3KCNH2

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