SCHEMBL1829244

SCHEMBL1829244

CC(C)CC(C)C=CCC(O)C=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.34
KISS1R Q969F8 1/20 0.30

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
SCHEMBL1829186 0.80 GAPDH (0.36) AKR1B1
SCHEMBL28993669 0.75 ALDH1A1 (0.30)
SCHEMBL1813771 0.75 GAPDH (0.31)
SCHEMBL7616378 0.73
SCHEMBL1236225 0.73
SCHEMBL1717671 0.72 TSHR (0.39)
SCHEMBL1658897 0.71 ALDH1A1 (0.30)
SCHEMBL1658898 0.71 ALDH1A1 (0.30)
SCHEMBL28785195 0.71
SCHEMBL1658566 0.70

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
EP-2318428-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2011-05-11 EP disclosed
WO-2010007147-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2010-01-21 WO disclosed