SCHEMBL9509216

SCHEMBL9509216

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.62
FAAH O00519 1/20 0.36
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL9509227 1.00 TBXA2R (0.62) TBXA2RFAAHALDH1A1ALOX15HSD17B10
SCHEMBL9700581 0.89 TBXA2R (0.77) TBXA2RLMNAKCNH2SLC6A3
SCHEMBL9700583 0.89 TBXA2R (0.77) TBXA2RLMNAKCNH2SLC6A3
SCHEMBL9507194 0.89 TBXA2R (0.79) TBXA2RFAAHALDH1A1ALOX15HSD17B10
SCHEMBL9508183 0.82 TBXA2R (0.64) TBXA2RFAAHALDH1A1ALOX15HSD17B10
SCHEMBL9509230 0.81 TBXA2R (0.60) TBXA2RFAAHALDH1A1ALOX15HSD17B10
SCHEMBL8742936 0.77 TBXA2R (1.00) TBXA2RLMNAKCNH2SLC6A3
SCHEMBL8742932 0.77 TBXA2R (1.00) TBXA2RLMNAKCNH2SLC6A3
SCHEMBL9509263 0.75 TBXA2R (0.79) TBXA2RMEN1LMNAKMT2AKCNH2
SCHEMBL9509249 0.75 TBXA2R (0.79) TBXA2RMEN1LMNAKMT2AKCNH2

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