SCHEMBL9545812

SCHEMBL9545812

COc1ccc(CCCCOc2ccc(C)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PLA2G7 Q13093 2/20 0.48
▸ CALM1 P0DP23 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ IGF1R P08069 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NAAA Q02083 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL16838833 0.80 APP (0.56) TDP1RAB9ASMN1; SMN2
SCHEMBL29304401 0.78 MAOB (0.43) TAAR1MAPTKMT2A
SCHEMBL4254058 0.77 CALM1 (0.72) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL29304013 0.77 MAPT (0.39) MAPTKMT2A
SCHEMBL10736559 0.76 MAPT (0.60) KDM4EHPGDMAPTKMT2A
SCHEMBL7943083 0.76 MAPT (0.49) KDM4EHPGDMAPTKMT2A
SCHEMBL20386693 0.76 LMNA (0.49) CALM1CASP3SENP8SENP7SENP6
SCHEMBL13313172 0.76 CALM1 (0.60) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL31411878 0.76 TDP1 (0.70) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL3335244 0.76 MAPT (0.64) KDM4EHPGDRAB9AMAPTKMT2A

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
WO-1993022285-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-11-11 — — WO disclosed
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