SCHEMBL11155255

SCHEMBL11155255

CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
OPRK1 P41145 5/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 5/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL10840340 0.82 KDM4E (0.45) KDM4EALDH1A1CA2LMNASMN1; SMN2
SCHEMBL9306882 0.79 ALDH1A1 (0.48) KDM4EOPRK1GAAALDH1A1CA2
SCHEMBL11149909 0.76 ALDH1A1 (0.67) KDM4EGAAALDH1A1CA2CYP3A4
SCHEMBL10458612 0.76 KDM4E (0.55) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL8611143 0.76 KDM4E (0.55) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL10626033 0.76 ALDH1A1 (0.51) KDM4EGAAALDH1A1CA2CYP3A4
SCHEMBL29990459 0.76 LMNA (0.60) KDM4EALDH1A1CA2CYP3A4LMNA
SCHEMBL5158739 0.75 GSK3B (0.43) KDM4EALDH1A1CA2CYP3A4LMNA
SCHEMBL19404527 0.75 TP53 (0.58) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL5145421 0.75 ALDH1A1 (0.48) KDM4EALDH1A1CA2CYP3A4LMNA

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-4382872-A COBALT, COPPER, NICKEL THE DOW CHEMICAL CO. (US) 1983-05-10 US disclosed
US-4254087-A Extraction of copper, nickel and cobalt using alkylaromatic sulfonic acids and chelating amines THE DOW CHEMICAL COMPANY (US) 1981-03-03 US disclosed