SCHEMBL9036631

SCHEMBL9036631

C=CCC(CO)C(O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
CYP17A1 P05093 1/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
TBXAS1 P24557 2/20 0.37
KCNA5 P22460 2/20 0.36
CYP19A1 P11511 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9162660 1.00 SMN1; SMN2 (0.44) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL9162949 0.81 SMN1; SMN2 (0.33) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP17A1
SCHEMBL9650174 0.80 CYP2C19 (0.49) SMN1; SMN2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL9159608 0.77 CYP2C19 (0.46) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL9036447 0.76 TBXAS1 (0.44) SMN1; SMN2TBXAS1
SCHEMBL9472718 0.76 TBXAS1 (0.44) SMN1; SMN2TBXAS1
SCHEMBL10432675 0.74 SMN1; SMN2 (0.45) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL14387788 0.74 SMN1; SMN2 (0.53) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL11862583 0.74 SMN1; SMN2 (0.38) SMN1; SMN2GAALMNAL3MBTL1SLC6A2
SCHEMBL29395786 0.72 CFTR (0.44) SMN1; SMN2GAALMNAL3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5401849-A FOR ANTAGONIZING THE ACTIONS OF, AND INHIBITING THE SYNTHESIS OF, THROMBOXANE A2 ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed