SCHEMBL11825060

SCHEMBL11825060

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ AR P10275 1/20 0.42
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ MEP1B Q16820 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11816465 0.81 KDM5A (0.41) MRGPRX4ARMEP1BRXFP1KAT6A
SCHEMBL11822411 0.79 MRGPRX4 (0.40) MRGPRX4MEP1BRXFP1KAT6APTPRC
SCHEMBL11818815 0.79 MRGPRX4 (0.42) MRGPRX4MEP1BMEN1KMT2AKDM4E
SCHEMBL11818479 0.79 CA2 (0.46) MRGPRX4ARMEN1KMT2AALDH1A1
SCHEMBL11820346 0.73 NR4A2 (0.47) MRGPRX4ARMEN1KMT2AALDH1A1
SCHEMBL11820018 0.72 CA2 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11818248 0.71 CA2 (0.43) MRGPRX4ARMEN1KMT2AKDM4E
SCHEMBL11821491 0.71 MEN1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL29937265 0.71 F2 (0.53) MEP1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL1449037 0.71 F2 (0.53) MEP1BMEN1KMT2AKDM4EALDH1A1

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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