SCHEMBL11817250

SCHEMBL11817250

O=C(O)c1ccc(SCc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.52
▸ MRGPRX4 Q96LA9 3/20 0.49
▸ AR P10275 1/20 0.49
▸ EPHX1 P07099 4/20 0.48
▸ SRD5A2 P31213 1/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GFER P55789 2/20 0.46
▸ DAO P14920 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL11820346 0.82 NR4A2 (0.47) NR4A2MRGPRX4AREPHX1SRD5A2
SCHEMBL11823732 0.81 GFER (0.54) NR4A2EPHX1NPSR1L3MBTL1MAPT
SCHEMBL11820534 0.78 EPHX1 (0.51) NR4A2EPHX1NPSR1L3MBTL1MAPT
SCHEMBL11825039 0.77 DAO (0.53) NR4A2MRGPRX4EPHX1SRD5A2MAPT
SCHEMBL7825081 0.76 L3MBTL1 (0.69) EPHX1NPSR1L3MBTL1MAPTHTT
SCHEMBL11820878 0.76 GSTP1 (0.47) SRD5A2MAPTHTTLMNAALDH1A1
SCHEMBL16298245 0.74 MRGPRX4 (0.66) NR4A2MRGPRX4SRD5A2MAPT
SCHEMBL11821491 0.73 MEN1 (0.45) EPHX1NPSR1L3MBTL1MAPTHTT
SCHEMBL2721465 0.73 NR4A2 (0.66) NR4A2MRGPRX4SRD5A2MAPT
SCHEMBL10746094 0.72 FKBP1A (0.53) L3MBTL1HPGDALDH1A1GFERCYP2C9

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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