SCHEMBL4777237

SCHEMBL4777237

COC(=O)C1(CO)CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.32
USP2 O75604 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL17009549 0.84 CYP2D6 (0.36) CYP4F2CYP4A11ALDH1A1CYP2D6CYP1A2
SCHEMBL4763096 0.83 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1CYP2D6MEN1
SCHEMBL20533579 0.81 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1CYP2D6MEN1
SCHEMBL1274563 0.81 CYP4F2 (0.34) CYP4F2CYP4A11ALDH1A1CYP2D6CYP2C19
SCHEMBL1503918 0.80
SCHEMBL4132172 0.80 POLB (0.44) ALDH1A1MEN1MAPK1KMT2A
SCHEMBL21807700 0.80 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1CYP2D6CYP2C19
SCHEMBL15437385 0.80 JAK2 (0.34) CYP4F2CYP4A11ALDH1A1CYP2D6CYP2C19
SCHEMBL1274527 0.80 CYP4F2 (0.33) CYP4F2CYP4A11CYP2D6CYP2C19CYP3A4
SCHEMBL14249923 0.80 POLB (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed