SCHEMBL11549413

SCHEMBL11549413

Cc1ccc(S(=O)(=O)OCC(C)C(=O)OC(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ENPP3 O14638 2/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SCN4A P35499 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
SCHEMBL3060996 0.79 ENPP3 (0.41) ALDH1A1POLBENPP3ENPP1ENPP2
SCHEMBL3803839 0.79 ENPP3 (0.41) ALDH1A1POLBENPP3ENPP1ENPP2
SCHEMBL16213017 0.74 STAT3 (0.46) ALDH1A1LMNASTAT3
SCHEMBL16213015 0.74 STAT3 (0.46) ALDH1A1LMNASTAT3
SCHEMBL16213013 0.74 STAT3 (0.46) ALDH1A1LMNASTAT3
SCHEMBL2706462 0.72 PRCP (0.35) LMNAMAPTKDM4E
SCHEMBL10856644 0.72 PRCP (0.35) SCN4A
SCHEMBL28911945 0.72 PRCP (0.35) LMNAMAPTKDM4E
SCHEMBL675798 0.72 PRCP (0.35) LMNAMAPTKDM4E
SCHEMBL2422874 0.72 PRCP (0.35) LMNAMAPTKDM4E

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-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 — — US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 — — US disclosed
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