SCHEMBL10389688

SCHEMBL10389688

CCOC(=O)C(CCC#N)(Oc1cccc2ccccc12)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
CDC25B P30305 2/20 0.40
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL10390295 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL10390075 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL10391193 0.76 KMT2A (0.56) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11661676 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL2309848 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8104878 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1TSHRNMT2
SCHEMBL10390172 0.68 KMT2A (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4069381 0.68 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL10408231 0.67 HTR1B (0.61) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11809140 0.67 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDPGR

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-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed