SCHEMBL8326720

SCHEMBL8326720

CCOC(=O)C(C)(C(=O)SCC)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP17A1 P05093 3/20 0.39
CYP19A1 P11511 3/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8330075 0.88 MAPK1 (0.49) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL3949682 0.84 MAPK1 (0.46) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8326726 0.83 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL1225868 0.79 TDP1 (0.56) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL1605423 0.78 MAPK1 (0.48) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL9394785 0.77 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1LMNACYP1A2
Hydrochloric Acid SCHEMBL8694159 0.76 MAPK1 (0.46) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL22176173 0.76 MAPK1 (0.46) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8329737 0.75 MAPK1 (0.48) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL6644426 0.75 TDP1 (0.48) MAPK1SMN1; SMN2TDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed