SCHEMBL3720122

SCHEMBL3720122

Oc1ccc(NC2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
MAPT P10636 3/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
S1PR1 P21453 2/20 0.48
MERTK Q12866 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
IDO1 P14902 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDK2 Q15119 1/20 0.43

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
SCHEMBL2466559 0.98 EPHX1 (0.58) EPHX1MAPTPOLBLMNAGAA
SCHEMBL657807 0.95 EPHX1 (0.50) EPHX1MAPTPOLBLMNAGAA
SCHEMBL16961161 0.92 EPHX1 (0.53) EPHX1MAPTPOLBLMNAGAA
4-Aminophenol SCHEMBL2890947 0.89 GAA (0.53) EPHX1MAPTPOLBLMNAGAA
SCHEMBL11526739 0.88 MAPT (0.63) MAPTPOLBLMNAGAANPC1
SCHEMBL11526941 0.85 MAPT (0.61) EPHX1MAPTPOLBLMNAGAA
SCHEMBL78145 0.85 MAPT (0.61) EPHX1MAPTPOLBLMNAGAA
SCHEMBL3400048 0.85 MAPT (0.61) EPHX1MAPTPOLBLMNAGAA
SCHEMBL8387438 0.82 DEGS1 (0.69) EPHX1MAPTLMNAGAAS1PR1
SCHEMBL2247061 0.81 PDK2 (0.47) EPHX1MAPK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
WO-2006023438-A1 2-(AMINO OR SUBSTITUTED AMINO)-3-5-6-SUBSTITUTED PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 WO disclosed