SCHEMBL9164480

SCHEMBL9164480

C=CCC(C)(C(=O)O)C(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TBXAS1 P24557 10/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
PLOD2 O00469 1/20 0.44
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41

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
SCHEMBL822013 0.84 ALDH1A1 (0.50) LMNACYP3A4TDP1ALDH1A1HTT
SCHEMBL9164231 0.82 SMN1; SMN2 (0.44) LMNACYP1A2CYP3A4GAAALDH1A1
SCHEMBL8438693 0.77 ALDH1A1 (0.49) LMNACYP3A4TDP1ALDH1A1HTT
SCHEMBL27576450 0.74 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL31703901 0.73 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL800635 0.73 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223885 0.71 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223914 0.71 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223886 0.71 LMNA (0.65) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL2424897 0.71 LMNA (0.65) LMNACYP1A2CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040753-C Pyridine derivatives and the preparation thereof ICI PLC (GB) 1998-11-18 CN 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
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed