SCHEMBL11823732

SCHEMBL11823732

O=C(O)c1cc(C(F)(F)F)ccc1SCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.54
▸ EPHX1 P07099 6/20 0.51
▸ FKBP1A P62942 1/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ DAO P14920 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ MLYCD O95822 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL10746094 0.92 FKBP1A (0.53) GFERFKBP1AL3MBTL1HPGDALDH1A1
Ammonia Solution, Strong SCHEMBL11820558 0.90 FKBP1A (0.52) GFEREPHX1FKBP1AL3MBTL1HPGD
SCHEMBL11819040 0.90 FKBP1A (0.52) GFERFKBP1AL3MBTL1HPGDALDH1A1
SCHEMBL11820125 0.90 FKBP1A (0.52) GFERFKBP1AL3MBTL1HPGDALDH1A1
SCHEMBL11821844 0.90 FKBP1A (0.52) GFERFKBP1AL3MBTL1HPGDALDH1A1
SCHEMBL11825095 0.90 FKBP1A (0.52) GFERFKBP1AL3MBTL1HPGDALDH1A1
SCHEMBL11821280 0.90 FKBP1A (0.52) GFERFKBP1AL3MBTL1HPGDALDH1A1
SCHEMBL11819472 0.90 FKBP1A (0.47) GFEREPHX1FKBP1ANPSR1MAPT
SCHEMBL10741558 0.90 FKBP1A (0.47) GFEREPHX1FKBP1ANPSR1MAPT
SCHEMBL11820534 0.89 EPHX1 (0.51) GFEREPHX1NPSR1MAPTL3MBTL1

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
Send feedback