SCHEMBL11820243

SCHEMBL11820243

O=C(O)c1cc(OC(F)(F)F)cc(SCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ TPX2 Q9ULW0 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ PPARA Q07869 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NR4A2 P43354 2/20 0.40
▸ MEP1B Q16820 1/20 0.39
▸ CXCR2 P25025 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11815385 0.88 MRGPRX4 (0.46) MRGPRX4MEN1KMT2AEPHX1AURKA
SCHEMBL11820227 0.85 TRPV1 (0.46) MRGPRX4MEN1KMT2AAURKATPX2
SCHEMBL11818108 0.85 PTPRZ1 (0.40) MRGPRX4MEN1KMT2AEPHX1AURKA
SCHEMBL11818815 0.84 MRGPRX4 (0.42) MRGPRX4MEN1KMT2AEPHX1AURKA
SCHEMBL11817074 0.84 DAO (0.41) MRGPRX4AURKATPX2PPARAPPARG
SCHEMBL11820578 0.80 ALDH1A1 (0.45) MRGPRX4MEN1KMT2ARXRARXRB
SCHEMBL24017339 0.76 KCNK2 (0.48) MRGPRX4MEN1KMT2AAURKATPX2
SCHEMBL11823334 0.75 MCL1 (0.44) MEN1KMT2AHPGDLMNACXCR2
SCHEMBL31550001 0.74 AURKA (0.56) MRGPRX4MEN1KMT2AAURKATPX2
SCHEMBL475754 0.74 AURKA (0.56) MRGPRX4MEN1KMT2AAURKATPX2

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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