SCHEMBL9735601

SCHEMBL9735601

CCCCOc1cccc(COc2ccc3cc[nH]c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
GPBAR1 Q8TDU6 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
DHFR P00374 2/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
MAOA P21397 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
APP P05067 1/20 0.42
MAPT P10636 1/20 0.42
PPARD Q03181 1/20 0.42
MAOB P27338 3/20 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
SCHEMBL30301439 0.86 MEN1 (0.62) MEN1POLBMAPK1KMT2ACHRNB4
SCHEMBL3794904 0.86 MEN1 (0.62) MEN1POLBMAPK1KMT2ACHRNB4
SCHEMBL29463389 0.82 ALOX5 (0.62) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL707702 0.82 ALOX5 (0.62) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL3790084 0.80 MAPK1 (0.62) MEN1POLBMAPK1KMT2ACHRNB4
SCHEMBL30961597 0.79 MEN1 (0.63) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL29275171 0.79 MEN1 (0.63) MEN1POLBMAPK1KMT2AMAOA
Hexane SCHEMBL27537617 0.77 ALOX5 (0.53) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL31464043 0.76 POLB (0.68) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL18640278 0.76 POLB (0.68) MEN1POLBMAPK1KMT2AMAOA

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-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US disclosed