SCHEMBL14033996

SCHEMBL14033996

CC(C)(C)C1CCC(=O)/C(=C/c2ccc(-c3ccc(/C=C4\CC(C(C)(C)C)CCC4=O)cc3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ HSP90AA1 P07900 3/20 0.37
▸ MAPK1 P28482 2/20 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
SCHEMBL14051746 0.88 MAPT (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11258552 0.74 ALDH1A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9390487 0.74 ALDH1A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22699174 0.74 ALDH1A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13447136 0.71 HPGD (0.33) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3438117 0.69 CYP1A2 (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3438119 0.69 CYP1A2 (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8283668 0.69 CYP2C9 (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11290392 0.69 MEN1 (0.54) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11290388 0.69 MEN1 (0.54) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 — — US disclosed
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