SCHEMBL23048857

SCHEMBL23048857

CCCC1C(=O)NC(=O)C1CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.32
KAT2A Q92830 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28755549 0.93 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20805108 0.87 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31156369 0.78 EPHX2 (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15820503 0.78 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15821046 0.76 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9408903 0.74 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9063676 0.73 TSHR (0.32) MEN1KMT2A
SCHEMBL2688933 0.72
SCHEMBL19508516 0.70 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL15259202 0.70 LMNA (0.30) LMNA

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
WO-2021220296-A1 A FUNGICIDAL COMPOUND AND PROCESS OF PREPARATION THEREOF UPL LIMITED (IN) 2021-11-04 WO disclosed
EP-3556826-B1 LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR MANUFACTURING LIQUID CRYSTAL ALIGNING FILM USING SAME, AND LIQUID CRYSTAL ALIGNING FILM USING SAME LG CHEMICAL LTD (KR) 2021-03-03 EP disclosed