SCHEMBL7365577

SCHEMBL7365577

CCCC(Br)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
FFAR3 O14843 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44

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
SCHEMBL8925664 0.86 ALDH1A1 (0.50) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL321084 0.86 AKR1B1 (0.50) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL143442 0.83
SCHEMBL6120289 0.83 FFAR4 (0.58) ALDH1A1TDP1AKR1B1GPR84PPARG
SCHEMBL28105796 0.83 FFAR4 (0.58) ALDH1A1TDP1AKR1B1GPR84PPARG
SCHEMBL8011806 0.83 FFAR4 (0.58) ALDH1A1TDP1AKR1B1GPR84PPARG
SCHEMBL7636717 0.83 ALDH1A1 (0.61) ALDH1A1TDP1AKR1B1GPR84PPARG
SCHEMBL28335814 0.81 GABRP (0.44) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL11548263 0.80 TET2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2591052 0.79 KMT2A (0.41) HDAC1HDAC2HDAC8CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5686478-A Endothelin antagonists MERCK & CO. INC. (US) 1997-11-11 US disclosed
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
US-5559135-A TREATMENT OF CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS OR ANTIASTHMATICS MERCK & CO., INC. (US) 1996-09-24 US disclosed
US-5538991-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISORDERS, PROSTATE HYPERPLASIA OR ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1996-07-23 US disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 US disclosed
US-5391566-A An endothelin antagonist, hypotensive agents, antiinflammatory agents for treating cardiovascular disorders, kidney disorders , brain disorders, asthma MERCK & CO., INC. (US) 1995-02-21 US disclosed
WO-1995003295-A1 ENDOTHELIN ANTAGONISTS MERCK & CO., INC. (US) 1995-02-02 WO disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-4254262-A IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-03-03 US disclosed