SCHEMBL5517104

SCHEMBL5517104

CC1=C(C)C(=Nc2ccc(O)cc2)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.39
▸ LMNA P02545 5/20 0.39
▸ HTT P42858 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ PKM P14618 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ XBP1 P17861 2/20 0.39
▸ MPI P34949 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL1970830 0.78 HSP90AA1 (0.35) MAPTLMNANPSR1PKMALDH1A1
SCHEMBL180646 0.75 LMNA (0.36) MAPTLMNAALDH1A1MAPK1PABPC1
SCHEMBL13525191 0.74 HSD17B10 (0.35) MAPTLMNAHTTNPSR1PKM
SCHEMBL599195 0.74 LMNA (0.35) MAPTLMNAALDH1A1MAPK1PABPC1
SCHEMBL8850269 0.72 MAPT (0.45) MAPTLMNAHTTPKMALDH1A1
SCHEMBL11787610 0.71 PABPC1 (0.41) MAPTLMNAHTTNPSR1PKM
SCHEMBL8148882 0.71 GLB1 (0.35) MAPTLMNAALDH1A1MAPK1HPGD
SCHEMBL11422063 0.70 MAPT (0.42) MAPTLMNAHTTNPSR1PKM
SCHEMBL6949065 0.68 LMNA (0.39) MAPTLMNANPSR1ALDH1A1MAPK1
SCHEMBL11410974 0.68 PABPC1 (0.39) MAPTNPSR1PKMALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3928070-B2 — — 2007-06-13 — — JP claimed
EP-0767809-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-16 — — EP claimed
WO-1996000745-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 — — WO claimed
US-3981676-A HAIR DYES L'OREAL (FR) 1976-09-21 — — US claimed
US-3989447-A Process for nonpermanently dyeing human hair with indamine indoaniline and indophenol hair dyes SOCIETE ANONYME DITE: L'OREAL (FR) 1976-11-02 — — US disclosed
US-3981676-A HAIR DYES L'OREAL (FR) 1976-09-21 — — US disclosed
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