SCHEMBL9739686

SCHEMBL9739686

CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](O)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.36
ALOX15 P16050 1/20 0.36
HSPA5 P11021 1/20 0.36
HSPA2 P54652 1/20 0.36
ADAM17 P78536 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CIT O14578 2/20 0.34
SCN9A Q15858 3/20 0.33
CNR2 P34972 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
FFAR2 O15552 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL9739682 1.00 ALOX12 (0.36) ALOX12ALOX15HSPA5HSPA2ADAM17
SCHEMBL7279293 0.88 ALOX12 (0.40) ALOX12ALOX15HSPA5HSPA2ADAM17
SCHEMBL7279299 0.88 ALOX12 (0.40) ALOX12ALOX15HSPA5HSPA2ADAM17
Hydrochloric Acid SCHEMBL9741701 0.87 ALOX12 (0.40) ALOX12ALOX15HSPA5HSPA2ADAM17
Hydrochloric Acid SCHEMBL9741705 0.87 ALOX12 (0.40) ALOX12ALOX15HSPA5HSPA2ADAM17
SCHEMBL9741250 0.81 BACE1 (0.45)
SCHEMBL9741242 0.81 BACE1 (0.45)
SCHEMBL9740697 0.79 REN (0.41) CNR2CNR1
SCHEMBL7424256 0.79 REN (0.41) CNR2CNR1
SCHEMBL9740699 0.79 REN (0.41) CNR2CNR1

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed