SCHEMBL11062344

SCHEMBL11062344

CCOC(=O)CSc1ccc(C(O)c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP17A1 P05093 1/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 3/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL11065724 0.81 SMN1; SMN2 (0.48) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11064337 0.80 CYP4F2 (0.51) LMNASMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL11063145 0.79 SMN1; SMN2 (0.46) LMNASMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL11065291 0.78 ALDH1A1 (0.52) LMNAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL11062427 0.76 CA12 (0.52) LMNACYP3A4SMN1; SMN2L3MBTL1CYP17A1
SCHEMBL11062433 0.76 CA12 (0.52) LMNACYP3A4SMN1; SMN2L3MBTL1CYP17A1
SCHEMBL5160706 0.74 LMNA (0.48) LMNAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL5929541 0.74 LMNA (0.48) LMNAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL10968085 0.73 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11068720 0.72 SMN1; SMN2 (0.60) LMNACYP3A4SMN1; SMN2L3MBTL1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US claimed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed