SCHEMBL9454642

SCHEMBL9454642

CCOC(=O)c1cccc(N2C(=O)CCC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
MAPK1 P28482 1/20 0.63
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 2/20 0.62
RCE1 Q9Y256 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
ALOX5 P09917 1/20 0.60
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL8506134 0.84 ALDH1A1 (0.68) ATMSMN1; SMN2ALOX5HPGDLMNA
SCHEMBL14881542 0.79 ALOX5 (0.56) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL10082605 0.79 ALDH1A1 (0.60) MAPK1KMT2AMEN1POLBALOX5
SCHEMBL14881406 0.78 ALOX5 (0.55) ATMKMT2AKDM4EMEN1POLB
SCHEMBL7830321 0.78 SMN1; SMN2 (0.56) ATMSMN1; SMN2ALOX5LMNAALDH1A1
SCHEMBL7823334 0.78 ALDH1A1 (0.67) ATMKMT2AKDM4EMEN1POLB
SCHEMBL110276 0.78 CYP4F2 (0.65) KMT2AKDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL19644103 0.78 GAA (0.58) ATMKMT2AKDM4EMEN1POLB
SCHEMBL29389131 0.78 GAA (0.58) ATMKMT2AKDM4EMEN1POLB
SCHEMBL10144997 0.77 ALOX5 (0.60) ATMMAPK1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
CN-1042910-A The allylamine derivatives that replaces, their production method and application thereof BANYU PHARMA CO LTD (JP) 1990-06-13 CN disclosed