SCHEMBL8099571

SCHEMBL8099571

CCCCCC1(OC(=O)/C=C/C(=O)OC2(CCCCC)CCCC2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 3/20 0.39
CTSL P07711 4/20 0.36
CTSK P43235 4/20 0.36
CTSB P07858 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CETP P11597 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CTSS P25774 1/20 0.32
PRKCA P17252 2/20 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
SCHEMBL8101633 0.95 ATM (0.41) ATMHCAR2CTSLCTSKCTSB
SCHEMBL8106041 0.93 ATM (0.40) ATMHCAR2CTSLCTSKCTSB
SCHEMBL17047296 0.93 ATM (0.40) ATMHCAR2CTSLCTSKCTSB
SCHEMBL17047299 0.87 HCAR2 (0.46) ATMHCAR2CTSLCTSKCTSB
SCHEMBL17047297 0.87 HCAR2 (0.46) ATMHCAR2CTSLCTSKCTSB
SCHEMBL28389452 0.87 TSHR (0.43) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL29290134 0.82 ALDH1A1 (0.36) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL8472936 0.82 CETP (0.37) CTSLCTSKCTSBMEN1KMT2A
SCHEMBL4401693 0.81 TSHR (0.44) ATMCTSLCTSKCTSBMEN1
SCHEMBL1516643 0.81 CETP (0.36) CTSLCTSKCTSBMEN1KMT2A

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
EP-1006130-A1 Fumaric acid diester resin composition, cross-linked fumaric acid diester resin and process NOF CORPORATION (JP) 2000-06-07 EP disclosed