SCHEMBL9509230

SCHEMBL9509230

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.60
FAAH O00519 1/20 0.37
TBXAS1 P24557 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9700590 0.89 TBXA2R (0.76) TBXA2RTBXAS1KCNH2SLC6A3
SCHEMBL9508183 0.84 TBXA2R (0.64) TBXA2RFAAHHSD17B10ALDH1A1ALOX15
SCHEMBL9507194 0.82 TBXA2R (0.79) TBXA2RFAAHHSD17B10ALDH1A1ALOX15
SCHEMBL9509216 0.81 TBXA2R (0.62) TBXA2RFAAHHSD17B10KDM4EALDH1A1
SCHEMBL9509227 0.81 TBXA2R (0.62) TBXA2RFAAHHSD17B10KDM4EALDH1A1
SCHEMBL9699631 0.81 TBXA2R (0.76) TBXA2R
SCHEMBL9699697 0.79 TBXA2R (0.63) TBXA2RALDH1A1MAPTCYP3A4KCNH2
SCHEMBL8743288 0.77 TBXA2R (0.80) TBXA2RTBXAS1KCNH2SLC6A3
SCHEMBL8743284 0.77 TBXA2R (0.80) TBXA2RTBXAS1KCNH2SLC6A3
SCHEMBL8743202 0.73 TBXA2R (0.80) TBXA2RTBXAS1KCNH2SLC6A3

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