SCHEMBL9849647

SCHEMBL9849647

CC(C)C[C@@H](Cc1nccs1)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 4/20 0.43
▸ HSPA2 P54652 3/20 0.43
▸ FDPS P14324 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ CIT O14578 2/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ LARS1 Q9P2J5 1/20 0.36
▸ HSPA9 P38646 1/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35

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
SCHEMBL26965355 0.84 FDPS (0.44) HSPA5HSPA2FDPSCYP3A4FFAR2
SCHEMBL27127787 0.84 FDPS (0.44) HSPA5HSPA2FDPSCYP3A4FFAR2
SCHEMBL17152395 0.80 MMP9 (0.43) HSPA5HSPA2AAK1CITFFAR2
SCHEMBL27228868 0.74 FFAR2 (0.60) HSPA5HSPA2AAK1CITFFAR2
SCHEMBL7873351 0.74 FFAR2 (0.60) HSPA5HSPA2AAK1CITFFAR2
SCHEMBL7279293 0.73 ALOX12 (0.40) HSPA5HSPA2AAK1CITSCN9A
SCHEMBL7279299 0.73 ALOX12 (0.40) HSPA5HSPA2AAK1CITSCN9A
SCHEMBL29637208 0.73 CYP3A4 (0.56) CYP3A4
SCHEMBL24387763 0.73 FDPS (0.45) HSPA5HSPA2FDPSCYP3A4AAK1
SCHEMBL27120255 0.73 FDPS (0.45) HSPA5HSPA2FDPSCYP3A4AAK1

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-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 — — EP disclosed
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