SCHEMBL8564334

SCHEMBL8564334

[CH2]C(CC(C)C)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
FFAR2 O15552 1/20 0.34
CTSA P10619 1/20 0.34
HRH1 P35367 5/20 0.33
CYP2D6 P10635 4/20 0.33
KCNH2 Q12809 4/20 0.33
MAPKAPK2 P49137 1/20 0.33
CNR1 P21554 1/20 0.33
ALOX12 P18054 2/20 0.33
CHRM1 P11229 2/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSPA5 P11021 1/20 0.32
HSPA2 P54652 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL8563478 0.78 LMNA (0.39) CNR2KDM4ELMNACTSAHRH1
SCHEMBL1987440 0.77
SCHEMBL30173737 0.77 FFAR2 (0.37) CNR2KDM4ELMNAFFAR2CTSA
SCHEMBL14151615 0.77 AAK1 (0.38) CNR2KDM4ELMNAFFAR2HRH1
SCHEMBL14152740 0.77 AAK1 (0.38) CNR2KDM4ELMNAFFAR2HRH1
SCHEMBL557653 0.72
SCHEMBL7268798 0.72 ADAM17 (0.36) CNR2KDM4ELMNAFFAR2CTSA
SCHEMBL7270075 0.72 ADAM17 (0.36) CNR2KDM4ELMNAFFAR2CTSA
SCHEMBL7269591 0.72 ADAM17 (0.36) CNR2KDM4ELMNAFFAR2CTSA
SCHEMBL7269588 0.72 ADAM17 (0.36) CNR2KDM4ELMNAFFAR2CTSA

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
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed