SCHEMBL10969787

SCHEMBL10969787

O=C(CCN1C(C(=O)O)CSC1c1ccccc1O)SSC(=O)CCN1C(C(=O)O)CSC1c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.38
▸ FFAR2 O15552 9/20 0.38
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL11192578 0.87 LMNA (0.53) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11191943 0.87 ALDH1A1 (0.43) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11257867 0.85 HSD17B10 (0.45) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11191876 0.82 ACE (0.39) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11267053 0.82 FFAR2 (0.41) ACEPOLBFFAR2HTT
SCHEMBL11385089 0.81 ACE (0.54) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11195295 0.81 ACE (0.38) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11186352 0.81 POLB (0.40) ACEALDH1A1POLBHPGDLMNA
SCHEMBL11190307 0.80 ACE (0.38) ACEALDH1A1POLBHPGDHSD17B10
SCHEMBL10970167 0.80 MAPT (0.43) ACEALDH1A1POLBHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482709-A Inclusion compounds of cyclodextrin with sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 — — US claimed
EP-0072868-A1 CYCLODEXTRIN CLATHRATE COMPOUNDS OF SULFUR-CONTAINING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-03-02 — — EP claimed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US claimed
EP-0048763-B1 SULFUR-CONTAINING ACYLAMINO ACIDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 — — EP disclosed
EP-0072868-B1 CYCLODEXTRIN CLATHRATE COMPOUNDS OF SULFUR-CONTAINING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-07-24 — — EP disclosed
US-4482709-A Inclusion compounds of cyclodextrin with sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 — — US disclosed
US-4425333-A HYPOTENSIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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