SCHEMBL9726946

SCHEMBL9726946

CCOC(=O)CC(=O)c1ccc(-n2cnc(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT3A P56704 1/20 0.39
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL8295736 0.83 PDE4A (0.56) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL652235 0.79 PDE4A (0.54) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL5089219 0.79 HTT (0.60) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1756573 0.77 HTT (0.57) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8295724 0.75 PDE4A (0.59) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6626390 0.74 PDE4A (0.58) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3712352 0.74 PDE4A (0.58) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL572 0.73 KMT2A (0.58) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL10662120 0.73 HDAC1 (0.51) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL29939457 0.73 HDAC1 (0.51) ALDH1A1KMT2AKDM4EMEN1MAPT

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
CN-1032648-C Process for preparation of platelet activating factor antagonist FIZER LTD (GB) 1996-08-28 CN disclosed
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
CN-1032439-A A kind of preparation method of platelet-activating factor antagonist PFIZER LTD (GB) 1989-04-19 CN disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed