SCHEMBL6860117

SCHEMBL6860117

C1CCC(NC2CCCCC2)CC1.O=C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.52
HCAR3 P49019 1/20 0.49
TSHR P16473 1/20 0.48
CTSD P07339 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
Cyclohexylamine SCHEMBL27740415 0.84 TSHR (0.49) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL13634180 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL78205 0.81 TSHR (0.67) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL29696138 0.81 TSHR (0.67) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL30727560 0.81 TSHR (0.67) ALDH1A1KMT2AMEN1KDM4EGAA
Nitrophenolate SCHEMBL3248799 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1KDM4EGAA
Nitrophenolate SCHEMBL3248806 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL4442553 0.81 HCAR3 (0.53) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL20377950 0.79 TSHR (0.65) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9125306 0.79 TSHR (0.65) ALDH1A1KMT2AMEN1KDM4EGAA

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-6787065-B1 POLYMER; MINERAL FILLER COMPRISING CHALK, CARBONATE, TALC, CLAY, AND SILICA; AND MINERAL OR POLYETHYLENE WAX SOLID OR PASTY STRUCTURING AGENT; METAL PART PROTECTION HENKEL KGAA (DE) 2004-09-07 US disclosed