SCHEMBL8540645

SCHEMBL8540645

C=C1CCCN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
POLB P06746 1/20 0.49
CMA1 P23946 1/20 0.47
ACACB O00763 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL1445857 0.85 GAA (0.57) GAAPOLBCMA1ACACBSMN1; SMN2
SCHEMBL4509396 0.82 ACACB (0.64) GAACMA1ACACBSMN1; SMN2ALDH1A1
SCHEMBL3459387 0.79 L3MBTL1 (0.64) GAACMA1ACACBSMN1; SMN2ALDH1A1
SCHEMBL20303832 0.78 L3MBTL1 (0.67) GAACMA1ACACBALDH1A1HDAC1
SCHEMBL158547 0.77 GAA (0.55) GAAPOLBCMA1ACACBALDH1A1
SCHEMBL29135192 0.77 HDAC1 (0.51) GAAPOLBCMA1ACACBSMN1; SMN2
SCHEMBL29135191 0.77 HDAC1 (0.51) GAAPOLBCMA1ACACBSMN1; SMN2
SCHEMBL8365726 0.76 GAA (0.50) GAAPOLBCMA1SMN1; SMN2ALDH1A1
SCHEMBL11432095 0.75 GAA (0.68) GAAPOLBCMA1ACACBSMN1; SMN2
SCHEMBL22743960 0.74 GAA (0.54) GAACMA1SMN1; SMN2ALDH1A1HDAC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770611-A Indole derivatives as 5HT1 -like agonists PFIZER INC. (US) 1998-06-23 US disclosed
EP-0785933-B1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LTD (GB) 1998-03-11 EP disclosed
EP-0785933-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS Pfizer Limited (GB) 1997-07-30 EP disclosed
WO-1996011195-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1996-04-18 WO disclosed
US-4833152-A Anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1989-05-23 US disclosed
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
US-4734420-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME UNIVERSITY OF MIAMI (US) 1988-03-29 US disclosed
US-4692458-A Anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1987-09-08 US disclosed
US-4690936-A AMINO ACIDS, THIOESTER LINKAGE; ANGIOTENSIN INHIBITORS UNIVERSITY OF MIAMI (US) 1987-09-01 US disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed
US-4284780-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed
US-4179434-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4177277-A INHIBITION OF ANGIOTENSIN-CONVERTING ENZYME E. R. SQUIBB & SONS, INC. (US) 1979-12-04 US disclosed
US-4165320-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-08-21 US disclosed
US-4156786-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-29 US disclosed
US-4154960-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4154946-A Amino mercapto substituted acylamino acids E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4146611-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US disclosed
US-4129571-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-12 US disclosed
US-4113715-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-09-12 US disclosed