SCHEMBL11818815

SCHEMBL11818815

O=C(O)c1cc(OC(F)(F)F)cc(SCc2cccc(S(=O)(=O)C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ MEP1B Q16820 1/20 0.41
▸ KAT6A Q92794 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PLA2G1B P04054 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ WDR5 P61964 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL11818108 0.88 PTPRZ1 (0.40) MRGPRX4MEP1BMEN1HPGDKMT2A
SCHEMBL11820243 0.84 MRGPRX4 (0.48) MRGPRX4MEP1BKDM4EMEN1ALDH1A1
SCHEMBL11815385 0.83 MRGPRX4 (0.46) MRGPRX4MEP1BKDM4EMEN1ALDH1A1
SCHEMBL11825060 0.79 MRGPRX4 (0.42) MRGPRX4MEP1BKAT6AKDM4EMEN1
SCHEMBL11822411 0.79 MRGPRX4 (0.40) MRGPRX4MEP1BKAT6ABCHEACHE
SCHEMBL11816465 0.79 KDM5A (0.41) MRGPRX4MEP1BKAT6ABCHEACHE
SCHEMBL11823334 0.79 MCL1 (0.44) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL11826895 0.78 PTPRC (0.46) MRGPRX4MEN1HPGDKMT2APLA2G1B
SCHEMBL11821945 0.78 DAO (0.47) MRGPRX4MEN1ALDH1A1KMT2APLA2G1B
SCHEMBL24017232 0.74 AURKA (0.44) MRGPRX4MEP1BKAT6AMEN1CYP1A2

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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