SCHEMBL7346534

SCHEMBL7346534

CC(=O)Sc1ccccc1CCC(=O)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 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
SCHEMBL7346532 0.74 EPHX2 (0.40) POLBALDH1A1NPC1RAB9AKMT2A
SCHEMBL5880381 0.73 CYP4F2 (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL7509868 0.72 CA12 (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL3110101 0.71 CA12 (0.51) ALDH1A1NPSR1SMN1; SMN2CA12CA1
SCHEMBL28490982 0.70 LMNA (0.40) L3MBTL1ALDH1A1NPSR1LMNAKDM4E
SCHEMBL15082083 0.68 THRA (0.43) L3MBTL1ALDH1A1BACE1NPSR1LMNA
SCHEMBL10585673 0.68 CA12 (0.50) L3MBTL1KMT2ACA12CA1CA2
SCHEMBL12419024 0.65 CA12 (0.55) L3MBTL1ALDH1A1KMT2ACA12CA1
SCHEMBL10507685 0.64 TDP1 (0.43) POLBALDH1A1LMNAKDM4EKMT2A
SCHEMBL29046352 0.64 NAAA (0.57) L3MBTL1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 — — US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 — — US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 — — US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 — — US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 — — US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 — — EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 — — US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 — — EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 — — US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 — — US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 — — EP disclosed
Send feedback