SCHEMBL11858337

SCHEMBL11858337

O=C(CCCCCCCCC1CC1)Oc1cc([N+](=O)[O-])c(OC(=O)CCCCCCCCC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 11/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL11854075 0.73 HPGD (0.55) HPGDKMT2ASMN1; SMN2TRPV1TDP1
SCHEMBL9906233 0.71 HSD17B10 (0.42) KMT2ATDP1MEN1ALDH1A1
SCHEMBL11860625 0.71 HPGD (0.53) HPGDKMT2ATRPV1TDP1MEN1
SCHEMBL11860848 0.71 HPGD (0.48) HPGDKMT2ATRPV1TDP1MEN1
SCHEMBL11851121 0.71 HPGD (0.53) HPGDKMT2ASMN1; SMN2TRPV1TDP1
SCHEMBL17593078 0.71 RAB9A (0.53) HPGDKMT2ASMN1; SMN2TDP1MEN1
SCHEMBL530769 0.71 RAB9A (0.53) HPGDKMT2ASMN1; SMN2TDP1MEN1
SCHEMBL11693657 0.70 ESR1 (0.46) HPGDSMN1; SMN2ALDH1A1
SCHEMBL11853367 0.70 HPGD (0.43) HPGDKMT2ASMN1; SMN2TRPV1TDP1
SCHEMBL11856222 0.70 PRSS1 (0.55) HPGDKMT2ASMN1; SMN2TDP1KDM5A

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-3969384-A Esters of cyclopropane alkanoic acids ZOECON CORPORATION (US) 1976-07-13 — — US disclosed
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