SCHEMBL9699697

SCHEMBL9699697

COCc1c(C)c(C)c(O)c(C(CCCCCC(=O)OC)c2ccc(F)cc2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.63
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 3/20 0.35
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 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
SCHEMBL9019219 0.81 TBXA2R (0.61) TBXA2RPPARGCA12CA7CA9
SCHEMBL9510760 0.81 TBXA2R (0.59) TBXA2RHTTALDH1A1MAPTSLC6A3
SCHEMBL9508207 0.81 TBXA2R (0.59) TBXA2RHTTALDH1A1MAPTSLC6A3
SCHEMBL8743288 0.80 TBXA2R (0.80) TBXA2RSLC6A3KCNH2LMNA
SCHEMBL8743284 0.80 TBXA2R (0.80) TBXA2RSLC6A3KCNH2LMNA
SCHEMBL9509230 0.79 TBXA2R (0.60) TBXA2RALDH1A1MAPTSLC6A3KCNH2
SCHEMBL27372684 0.79 TBXA2R (0.56) TBXA2RHTTALDH1A1MAPTSLC6A3
SCHEMBL9506921 0.77 TBXA2R (0.47) TBXA2RKCNH2PPARG
SCHEMBL9699631 0.77 TBXA2R (0.76) TBXA2R
SCHEMBL9700590 0.77 TBXA2R (0.76) TBXA2RSLC6A3KCNH2LMNA

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-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed