SCHEMBL9428752

SCHEMBL9428752

O=Cc1ccccc1C#CCCCCC#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
THPO P40225 1/20 0.39
BLM P54132 2/20 0.38
PMP22 Q01453 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9119911 0.84 CYP3A4 (0.59) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9700196 0.84 CYP3A4 (0.59) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL10794603 0.83 CYP3A4 (0.61) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL8846326 0.83 CYP3A4 (0.61) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9559982 0.83 CYP3A4 (0.61) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL15428220 0.82 CYP3A4 (0.53) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9118735 0.82 CYP3A4 (0.53) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL193992 0.81 KMT2A (0.50) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL5659319 0.78 CYP3A4 (0.44) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL28554890 0.76 LMNA (0.43) CYP3A4TSHRALDH1A1TDP1HPGD

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 26 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-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
EP-0313697-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-03-04 EP disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
US-4937253-A LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-26 US disclosed
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed
US-4874792-A RESPIRATORY SYSTEM DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1989-10-17 US 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