SCHEMBL7415644

SCHEMBL7415644

CCC(C)C(N)C(=O)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 6/20 0.60
HSPA2 P54652 3/20 0.60
FFAR2 O15552 4/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
XBP1 P17861 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSPA9 P38646 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL6056845 1.00 HSPA5 (0.60) HSPA5HSPA2FFAR2ALDH1A1PKM
Hydrochloric Acid SCHEMBL7417556 0.99 HSPA5 (0.59) HSPA5HSPA2FFAR2ALDH1A1PKM
SCHEMBL23804604 0.85 LMNA (0.59) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7876872 0.85 LMNA (0.59) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7868173 0.85 LMNA (0.56) HSPA5HSPA2FFAR2LMNATSHR
Bromide SCHEMBL11310643 0.82 LMNA (0.57) HSPA5HSPA2FFAR2LMNATSHR
Bromide SCHEMBL11317007 0.80 LMNA (0.57) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL6056801 0.80 LMNA (0.51) HSPA5HSPA2FFAR2LMNATSHR
Hydrochloric Acid SCHEMBL7381658 0.79 LMNA (0.50) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7873410 0.79 LMNA (0.50) HSPA5HSPA2FFAR2ALDH1A1PKM

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-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed