SCHEMBL8029611

SCHEMBL8029611

CCOc1ccc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
FAAH O00519 4/20 0.60
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.53
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL8029856 0.91 FAAH (0.62) PKMMAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL8033304 0.90 ALDH1A1 (0.63) PKMMAPK1SMN1; SMN2LMNAFAAH
SCHEMBL8029862 0.89 SMN1; SMN2 (0.58) PKMMAPK1SMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL8889528 0.89 KMT2A (0.63) PKMMAPK1SMN1; SMN2LMNAFAAH
SCHEMBL8020109 0.88 SMN1; SMN2 (0.58) PKMMAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL8029605 0.87 MEN1 (0.58) PKMMAPK1SMN1; SMN2KDM4EFAAH
SCHEMBL8029596 0.85 SIGMAR1 (0.62) SMN1; SMN2FAAHALDH1A1L3MBTL1KMT2A
SCHEMBL8020023 0.85 POLB (0.61) PKMSMN1; SMN2KDM4ELMNAFAAH
SCHEMBL8029885 0.84 ALDH1A1 (0.55) MAPK1SMN1; SMN2KDM4ELMNAFAAH
SCHEMBL8020087 0.82 MAPK1 (0.60) PKMMAPK1SMN1; SMN2KDM4ELMNA

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-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed