SCHEMBL532306

SCHEMBL532306

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.38
ACHE P22303 6/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
LCK P06239 1/20 0.33

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
SCHEMBL532307 0.90 BCHE (0.36) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL532116 0.86 ACHE (0.38) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL532115 0.76 KDM4E (0.37) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL12762334 0.66 CA12 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22303230 0.65 ALDH1A1 (0.48) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL726886 0.63 ALDH1A1 (0.56) BCHEACHEKDM4EALDH1A1CYP2D6
SCHEMBL725498 0.63 BCHE (0.58) BCHEACHEKDM4EALDH1A1LCK
SCHEMBL723311 0.63 LCK (0.63) BCHEACHEKDM4EALDH1A1LCK
SCHEMBL724773 0.63 LCK (0.63) BCHEACHEKDM4EALDH1A1LCK
SCHEMBL24354472 0.63 ALDH1A1 (0.44) BCHEACHEKDM4EALDH1A1HPGD

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