SCHEMBL11446246

SCHEMBL11446246

C=CCNC(=O)C1Cc2cc(-c3ccc(NC(C)=O)cc3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL11440114 0.87 HRH3 (0.48) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL11438433 0.85 MEN1 (0.40) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL11453860 0.82 HTT (0.49) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11446220 0.81 CYP4F2 (0.47) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11469822 0.78 NPC1 (0.52) HTTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11525477 0.77 POLB (0.48) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL11496018 0.75 HDAC3 (0.56) HTTMEN1KMT2APOLBNFKB1
SCHEMBL11528144 0.71 CYP4F2 (0.47) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL11545033 0.69 ADAMTS5 (0.53) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL11530821 0.69 LMNA (0.47) HTTMEN1KMT2APOLBNFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019955-A1 Benzofurancarboxylic acid derivatives, their preparation and their inclusion in lipogenesis inhibiting compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-12-10 — — EP disclosed
US-4205080-A LIPOGENESIS INHIBITORS SHELL OIL COMPANY (US) 1980-05-27 — — US disclosed
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