SCHEMBL9756836

SCHEMBL9756836

O=C(O)/C=C/c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
PKM P14618 1/20 0.63
LMNA P02545 4/20 0.56
AKR1C3 P42330 5/20 0.52
PTGER1 P34995 2/20 0.50
PTGER4 P35408 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER2 P43116 2/20 0.50
GSK3B P49841 2/20 0.48
BACE1 P56817 2/20 0.48
THRB P10828 2/20 0.47
AKR1C2 P52895 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
AKR1B10 O60218 1/20 0.45
TTR P02766 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL9756837 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL4906689 0.81 MAOA (0.58) PKMSMN1; SMN2RAB9A
SCHEMBL9757027 0.80 KDM4E (0.58) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL9757028 0.80 KDM4E (0.58) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL5848040 0.77 KDM4E (0.87) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL2136928 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL2136926 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL27833553 0.77 KDM4E (0.87) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL5848038 0.77 KDM4E (0.87) ALDH1A1KDM4EPKMLMNAAKR1C3
SCHEMBL10927966 0.77 KDM4E (0.78) ALDH1A1KDM4EPKMLMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed