SCHEMBL9428903

SCHEMBL9428903

C#CCCCCC#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 5/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.44
▸ APP P05067 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38

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
SCHEMBL12500449 0.98 KDM4E (0.47) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10455227 0.87 CYP1A2 (0.52) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17911731 0.84 CYP1A2 (0.58) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10768214 0.79 CYP1A2 (0.64) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL31287247 0.79 CYP1A2 (0.48) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL7893024 0.79 CYP1A2 (0.59) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2947602 0.79 CYP1A2 (0.58) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5314931 0.79 FFAR1 (0.55) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23014997 0.78 CYP1A2 (0.56) KDM4ECYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8590492 0.78 CYP1A2 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 — — US disclosed
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 — — EP disclosed
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 — — EP disclosed
EP-0358240-B1 INTERMEDIATES FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-09 — — EP disclosed
EP-0532674-A4 LEUKOTRIENE ANTAGONISTS — 1993-04-07 — — EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 — — EP disclosed
US-5189226-A Chemical intermediate for diacid SMITHKLINE BEECHAM CORPORATION (US) 1993-02-23 — — US disclosed
US-5143931-A 2-Phenyl-2((tetrazolyl or imidazolyl)thio)alkanoic acid derivatives; antiphylactic and bronchodilator agents SMITHKLINE BEECHAM CORPORATION (US) 1992-09-01 — — US disclosed
EP-0296731-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-08-26 — — EP disclosed
US-5135938-A Bronchodilator SMITHKLINE BEECHAM CORPORATION (US) 1992-08-04 — — US disclosed
US-4871771-A PHENYL SUBSTITUTED-DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-03 — — US disclosed
EP-0327306-A2 Leukotriene B4 antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-08-09 — — EP disclosed
EP-0313697-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-05-03 — — EP disclosed
US-4820719-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIISCHEMIC AND HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-11 — — US disclosed
EP-0296731-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 — — EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 — — EP disclosed
US-4730005-A DITHIA-ALKANEDIOIC ACIDS SMITHKLINE BECKMAN CORPORATION (US) 1988-03-08 — — US disclosed
EP-0168902-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1987-09-30 — — EP disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 — — EP disclosed
EP-0168902-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 — — EP disclosed
Send feedback