SCHEMBL9119613

SCHEMBL9119613

CCOC(=O)C(CC)CSC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CPB2 Q96IY4 2/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
ABCC3 O15438 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
NR3C1 P04150 1/20 0.34
RARG P13631 1/20 0.34
CNR1 P21554 1/20 0.34
OPRK1 P41145 1/20 0.34
NR1H2 P55055 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
SCHEMBL11648877 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CPB2MEN1
SCHEMBL284647 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CPB2MEN1
SCHEMBL818946 0.78 MME (0.41) ALDH1A1LMNAHSD17B10CYP2C19CYP3A4
SCHEMBL7031434 0.77 CYP1A2 (0.50) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL6469867 0.77 CPB2 (0.55) CPB2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6469865 0.77 CPB2 (0.55) CPB2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL4727588 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CPB2CYP2D6
SCHEMBL7141032 0.76 CYP1A2 (0.58) ALDH1A1MEN1NPC1KMT2ACYP2D6
SCHEMBL21981164 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CPB2MEN1
SCHEMBL29207090 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CPB2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480708-B1 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1995-10-11 EP disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 EP disclosed