SCHEMBL8338116

SCHEMBL8338116

Cc1cc(C(=O)c2cccc(Cl)c2)[nH]c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.51
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ VNN1 O95497 1/20 0.38
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL3231863 0.79 PTGS2 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8053596 0.77 GAA (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8336761 0.77 GRM5 (0.39) MEN1KMT2AABCB11PTGS2
SCHEMBL8605251 0.75 MAPT (0.48) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6171737 0.73 ALOX15 (0.48) ALOX15MEN1KMT2ANPC1RAB9A
SCHEMBL3173817 0.69 PARP1 (0.68) ALOX15NPC1RAB9AERCC5FEN1
SCHEMBL6170838 0.68 MEN1 (0.81) ALOX15MEN1KMT2ANPC1RAB9A
SCHEMBL6172428 0.68 MEN1 (0.62) ALOX15MEN1KMT2ANPC1RAB9A
SCHEMBL1133114 0.68 ATM (0.71) ALOX15NPC1RAB9AERCC5FEN1
SCHEMBL31514279 0.68 ATM (0.71) ALOX15NPC1RAB9AERCC5FEN1

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-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 — — US disclosed
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