SCHEMBL13560627

SCHEMBL13560627

CC(OC(=O)c1cc2cc([N+](=O)[O-])ccc2n1C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ELANE P08246 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ CTRB1 P17538 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL13560440 0.91 CCR2 (0.39) CCR2LMNAPOLBSMN1; SMN2ELANE
SCHEMBL13560567 0.81 CCR2 (0.35) CCR2SMN1; SMN2ALDH1A1
SCHEMBL3638008 0.79 NOD2 (0.53) CCR2SMN1; SMN2ELANEF2PLAU
SCHEMBL2001099 0.74 CYP19A1 (0.46) CCR2CYP19A1LMNAPOLBSMN1; SMN2
SCHEMBL29780834 0.74 MAPT (0.44) CCR2CYP19A1LMNASMN1; SMN2ELANE
SCHEMBL28808278 0.74 MAPT (0.44) CCR2CYP19A1LMNASMN1; SMN2ELANE
SCHEMBL13560510 0.74 SRD5A2 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL6750905 0.73 CYP19A1 (0.49) CCR2CYP19A1LMNAPOLBMEN1
SCHEMBL26597102 0.72 ELANE (0.45) CCR2CYP19A1POLBELANEF2
SCHEMBL28808282 0.72 CCR2 (0.47) CCR2CYP19A1LMNAPOLBSMN1; SMN2

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
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