SCHEMBL7954080

SCHEMBL7954080

CCOC(=O)c1cc2c(C)ccc(OCCO)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 5/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.40
BRD4 O60885 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7956241 0.85 KDM4E (0.39) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL4042473 0.82 ALDH1A1 (0.50) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL7879779 0.82 FFAR4 (0.47) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL7954122 0.79 ESR1 (0.47) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL1654809 0.78 ALDH1A1 (0.46) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL3276933 0.78 ALOX15 (0.47) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL7946979 0.78 MEN1 (0.39) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL1653140 0.73 FBP1 (0.49) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL21724772 0.73 HRH4 (0.53) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL30055809 0.73 HRH4 (0.53) KDM4ERAB9AHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed