SCHEMBL9215796

SCHEMBL9215796

CCCCOc1ccc2c(c1)CCC(C=NO)=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 4/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AHR P35869 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9220800 0.84 CYP11B1 (0.50) KMT2AL3MBTL1CYP11B1CYP11B2CYP19A1
SCHEMBL9220414 0.83 S1PR1 (0.40) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL9159335 0.80 MAOA (0.45) GAARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9159339 0.80 MAOA (0.45) GAARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2622583 0.78 CYP11B1 (0.49) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL14102672 0.76 CYP11B2 (0.58) CYP11B1CYP11B2SMN1; SMN2AHRCYP19A1
SCHEMBL9621234 0.74 TP53 (0.44) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL14049206 0.72 CYP11B1 (0.44) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL10071518 0.70 HRH3 (0.55) MEN1KMT2AGAARAB9AALDH1A1
SCHEMBL12085703 0.70 MEN1 (0.52) MEN1KMT2AGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524517-B1 Substituted 3,4-dihydronaphthalenes, medicament containing them and process for their preparation GRUENENTHAL GMBH (DE) 1995-06-21 EP disclosed
US-5254731-A Enzyme inhibitors; leukotriene disorders GRUENENTHAL GMBH (DE) 1993-10-19 US disclosed
EP-0524517-A1 Substituted 3,4-dihydronaphthalenes, medicament containing them and process for their preparation Grünenthal GmbH (DE) 1993-01-27 EP disclosed