SCHEMBL532307

SCHEMBL532307

CC(C)N(C(C)C)P(OCCC#N)OCCCCCCNC(=O)Cc1cc(=O)oc2cc(CC(C)(C)C(=O)O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.35
LCK P06239 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL532306 0.90 BCHE (0.38) BCHEACHELCKKDM4EALDH1A1
SCHEMBL532115 0.85 KDM4E (0.37) BCHEACHELCKKDM4EALDH1A1
SCHEMBL532116 0.76 ACHE (0.38) BCHEACHEKDM4EALDH1A1CYP1A2
SCHEMBL12762334 0.76 CA12 (0.39) LCKKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL18385820 0.69 NPC1 (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL6766479 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL24429198 0.68 EPHX2 (0.44) ALDH1A1
SCHEMBL18104358 0.68 EPHX2 (0.44) ALDH1A1
SCHEMBL31465144 0.68 EPHX2 (0.44) ALDH1A1
SCHEMBL27050825 0.68 EPHX2 (0.44) ALDH1A1

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-1235938-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2012-02-08 EP disclosed