SCHEMBL8095933

SCHEMBL8095933

CCOC(=O)[C@@H]1CCCCN1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 6/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
FKBP1A P62942 4/20 0.47
LMNA P02545 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6211340 1.00 MEN1 (0.54) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6213333 0.93 MEN1 (0.48) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL27328908 0.87 FKBP1A (0.50) KDM4EMAPK1FKBP1A
SCHEMBL79066 0.86 F10 (0.51) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL29671561 0.84 FKBP1A (0.47) KMT2AALDH1A1SMN1; SMN2FKBP1A
SCHEMBL27551310 0.84 FKBP1A (0.47) KMT2AALDH1A1SMN1; SMN2FKBP1A
SCHEMBL14711760 0.82 ALDH1A1 (0.48) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL14711764 0.82 F10 (0.47) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL4996049 0.82 MEN1 (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6214398 0.80 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed