SCHEMBL9517700

SCHEMBL9517700

CC(C)C(C)/C(=C\C=C\C1(C)CC1c1ccc(Cl)cc1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
RCOR1 Q9UKL0 3/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
LIG1 P18858 1/20 0.32
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
ABCC1 P33527 1/20 0.31
CCR2 P41597 1/20 0.30
NSD2 O96028 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
PTGS2 P35354 1/20 0.30
P2RX7 Q99572 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
SCHEMBL9515635 0.74 NPSR1 (0.36)
SCHEMBL9517708 0.74 HDAC3 (0.36) KDM1ARCOR1MAPK1LIG1TP53
SCHEMBL9517705 0.74 HDAC3 (0.36) KDM1ARCOR1MAPK1LIG1TP53
SCHEMBL9580474 0.74 HDAC3 (0.36) KDM1ARCOR1MAPK1LIG1TP53
SCHEMBL9517802 0.73 NPSR1 (0.35)
SCHEMBL9517750 0.69 KDM1A (0.31) KDM1ARCOR1
SCHEMBL9516899 0.67 NPSR1 (0.37) MAPTKMT2A
SCHEMBL9515194 0.64 SLC6A2 (0.34) KDM1A
SCHEMBL9518891 0.64 KDM1A (0.39) KDM1ARCOR1
SCHEMBL9128583 0.63 MAPK1 (0.41) KDM1ARCOR1MAPK1LIG1CCR2

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed