SCHEMBL11818176

SCHEMBL11818176

COc1cc(SCc2cccc(I)c2)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.43
▸ MIF P14174 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MRGPRX4 Q96LA9 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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 0.85 MRGPRX4 (0.46) HPGDNPSR1KDM4ECYP1A2MEN1
SCHEMBL11818181 0.80 MRGPRX4 (0.49) HPGDNPSR1CYP1A2MEN1KMT2A
SCHEMBL11829691 0.76 MRGPRX4 (0.48) HPGDNPSR1KDM4EMIFMRGPRX4
SCHEMBL11816211 0.76 CYP1A2 (0.46) HPGDNPSR1KDM4EMIFCYP1A2
SCHEMBL11826777 0.76 CYP1A2 (0.46) HPGDNPSR1KDM4EMIFCYP1A2
SCHEMBL24637640 0.76 HPGD (0.54) HPGDNPSR1KDM4EMIFCYP1A2
SCHEMBL15818934 0.73 MRGPRX4 (0.57) HPGDNPSR1KDM4EMIFCYP1A2
SCHEMBL11770089 0.73 RAB9A (0.53) HPGDNPSR1MEN1KMT2AALDH1A1
SCHEMBL11820243 0.71 MRGPRX4 (0.48) HPGDKDM4ECYP1A2MEN1KMT2A
SCHEMBL11817937 0.71 FFAR1 (0.53) HPGDKDM4ECYP1A2MEN1KMT2A

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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