SCHEMBL7436611

SCHEMBL7436611

O=C(O)CN1C(=O)C(NP(=O)(O)CC(Cc2ccccc2)NC(=O)c2ccccc2)CS[C@@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.43
PIN1 Q13526 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTRB1 P17538 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7436607 1.00 ACE (0.43) ACEPIN1GAAHPGDATM
SCHEMBL11106544 0.88 GAA (0.42) ACEPIN1GAAHPGDATM
SCHEMBL11106542 0.88 GAA (0.42) ACEPIN1GAAHPGDATM
SCHEMBL10811569 0.81 ACE (0.43) ACEGAAHPGDATMSMN1; SMN2
SCHEMBL10808452 0.81 ACE (0.43) ACEGAAHPGDATMSMN1; SMN2
SCHEMBL7424201 0.78 LMNA (0.38) HPGD
SCHEMBL10808951 0.78 BACE1 (0.42) GAAHPGDATMSMN1; SMN2L3MBTL1
SCHEMBL11106553 0.78 GAA (0.42) PIN1GAAHPGDATMSMN1; SMN2
SCHEMBL11106548 0.78 GAA (0.39) PIN1GAAHPGDATMSMN1; SMN2
SCHEMBL7326888 0.77 ACE (0.52) ACEPIN1CTRB1

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-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 US disclosed