SCHEMBL1769278

SCHEMBL1769278

CCS(=O)(=O)OC1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA3 P07451 3/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA6 P23280 3/20 0.40
▸ CA5A P35218 3/20 0.40
▸ CA7 P43166 3/20 0.40
▸ CA13 Q8N1Q1 3/20 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
SCHEMBL3260119 0.72 HSD17B10 (0.42) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14176144 0.71 ATM (0.49) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1769275 0.71 POLB (0.39) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL9812380 0.70 HSD17B10 (0.52) MEN1LMNATSHRKMT2ACA1
SCHEMBL28498472 0.69 CA1 (0.65) CYP3A4TSHRCA1CA2CA9
SCHEMBL4456811 0.68 CA1 (0.50) CYP3A4TSHRCA1CA2CA9
SCHEMBL3220574 0.68 CA12 (0.39) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL9110057 0.67 HSD17B10 (0.48) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL26218806 0.67 MAPT (0.49) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1769341 0.67 LMNA (0.64) MEN1LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 — — WO disclosed
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