SCHEMBL8979753

SCHEMBL8979753

CCCCC(=O)CC(=O)COC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.44
CES1 P23141 5/20 0.42
CES2 O00748 4/20 0.42
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPK1 P28482 1/20 0.35
AKR1B1 P15121 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
SCHEMBL297827 0.89
SCHEMBL8649705 0.86 ALDH1A1 (0.39) HAO1CES1CES2ALDH1A1TSHR
SCHEMBL534933 0.83 CES1 (0.58) HAO1CES1CES2ALDH1A1TP53
SCHEMBL8823886 0.82 KMT2A (0.52) HAO1CES1CES2ALDH1A1MAPT
SCHEMBL30197621 0.81 CES1 (0.55) HAO1CES1CES2ALDH1A1TP53
Hydrochloric Acid SCHEMBL29053917 0.81 CES1 (0.55) HAO1CES1CES2ALDH1A1TP53
SCHEMBL30197707 0.81 CES1 (0.55) HAO1CES1CES2ALDH1A1TP53
SCHEMBL16425793 0.81 TSHR (0.40) ALDH1A1MAPTTSHRMAPK1
SCHEMBL534886 0.79 CES1 (0.52) HAO1CES1CES2ALDH1A1TP53
SCHEMBL5917740 0.79 HAO1 (0.64) HAO1CES1CES2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030790-B2 Method for removing fluorine-containing compound from waste water DAIKIN INDUSTRIES, LTD. (JP) 2024-07-09 US disclosed
WO-2024101440-A1 COMPOUND, ENDOTHELIN A RECEPTOR ANTAGONIST, ANGIOTENSIN II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2024-05-16 WO disclosed
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
US-5389659-A Hypotensive agents GLAXO GROUP LIMITED (GB) 1995-02-14 US disclosed
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed
EP-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
WO-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 WO disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed