SCHEMBL11241296

SCHEMBL11241296

CCOC(=O)COc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
S1PR4 O95977 1/20 0.46
LMNA P02545 1/20 0.46
ITGA4 P13612 1/20 0.46
HPGD P15428 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
TLR9 Q9NR96 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 3/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL3598134 0.92 ALDH1A1 (0.50) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16792371 0.85 NLRP3 (0.48) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16792345 0.85 PTPN7 (0.53) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL16861184 0.84 GPR35 (0.51) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14252839 0.84 CA12 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL29860136 0.82 ALDH1A1 (0.43) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13099833 0.82 KDM4E (0.65) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30581469 0.82 KDM4E (0.65) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7996901 0.80 ALDH1A1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL11245888 0.79 RAB9A (0.54) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT

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-4310527-A DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION CIBA-GEIGY CORPORATION (US) 1982-01-12 US disclosed
US-4140789-A ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-02-20 US disclosed