SCHEMBL8432121

SCHEMBL8432121

O=C(O)C1(CCCCCO)CCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 8/20 0.58
CYP4A11 Q02928 8/20 0.58
TBXAS1 P24557 2/20 0.45
CYP2C19 P33261 1/20 0.42
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CPB2 Q96IY4 2/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL22399923 0.94 CYP4F2 (0.59) CYP4F2CYP4A11TBXAS1CYP2C19GPR84
SCHEMBL10257161 0.94 CYP4F2 (0.53) CYP4F2CYP4A11TBXAS1CYP2C19GPR84
SCHEMBL17099452 0.94 CYP4F2 (0.53) CYP4F2CYP4A11TBXAS1CYP2C19GPR84
SCHEMBL28119855 0.92 CYP4F2 (0.58) CYP4F2CYP4A11TBXAS1CYP2C19GPR84
SCHEMBL798439 0.91 TBXAS1 (0.50) CYP4F2CYP4A11TBXAS1CYP2C19CPB2
SCHEMBL11226563 0.91 CYP4F2 (0.50) CYP4F2CYP4A11TBXAS1CYP2C19GPR84
SCHEMBL798202 0.87 TBXAS1 (0.54) CYP4F2CYP4A11TBXAS1CYP2C19CPB2
SCHEMBL9182194 0.87 TBXAS1 (0.54) CYP4F2CYP4A11TBXAS1CYP2C19CPB2
SCHEMBL797992 0.87 TBXAS1 (0.45) CYP4F2CYP4A11TBXAS1CYP2C19CPB2
SCHEMBL798204 0.87 TBXAS1 (0.45) CYP4F2CYP4A11TBXAS1CYP2C19CPB2

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 8 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
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US 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