SCHEMBL7399953

SCHEMBL7399953

CCOC(=O)/C=C1/CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CTDSP1 Q9GZU7 3/20 0.46
MAPT P10636 5/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 2/20 0.43
MDM2 Q00987 1/20 0.43
HRH1 P35367 1/20 0.42
MIF P14174 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL31660724 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL5479500 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL5479497 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL7395455 0.91 RXRA (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL21538739 0.91 RXRA (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL5479417 0.91 RXRA (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL7395451 0.91 RXRA (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL21538712 0.86 CTDSP1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL4305031 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1
SCHEMBL7917078 0.84 CTDSP1 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133446-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 2000-10-17 US disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed