SCHEMBL10639092

SCHEMBL10639092

CCOC(=O)CCC1(C)CC(=O)c2cc(O)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.60
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.54
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 9/20 0.53
GAA P10253 7/20 0.53
HPGD P15428 6/20 0.53
CASP1 P29466 5/20 0.53
HSD17B10 Q99714 5/20 0.53
GLA P06280 4/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CASP7 P55210 2/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 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
SCHEMBL9635631 0.91 KDM4E (0.54) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6947170 0.85 ALDH1A1 (0.49) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10705202 0.84 AKT1 (0.67) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6954418 0.79 MAOB (0.56) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL11112855 0.79 AKT1 (0.69) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10636272 0.78 AKT1 (0.58) AKT1KMT2AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL6947178 0.78 KDM4E (0.52) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6952737 0.77 KDM4E (0.46) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2784941 0.76 AKT1 (0.72) AKT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2783197 0.76 AKT1 (0.72) AKT1KMT2AMAPTKDM4EALDH1A1

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-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed