SCHEMBL7325968

SCHEMBL7325968

CCOC(=O)C1CC(=O)CC12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX12 P18054 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL1634765 0.77 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL1635627 0.77 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL1634763 0.77 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL2014327 0.77 PSEN1 (0.38) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL1634121 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL7324781 0.75 SMN1; SMN2 (0.31) GAACYP2C9
SCHEMBL21727232 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL16369922 0.72 ALDH1A1 (0.43) ALDH1A1MAPTHPGDCYP2C9POLB
SCHEMBL21707998 0.72 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL16030873 0.71 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4EPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384380-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-06-19 EP disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed
EP-0384380-A2 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC. (JP) 1990-08-29 EP disclosed