SCHEMBL28070041

SCHEMBL28070041

CCC(=O)N1CCN(C)CC1N(c1ccc(OCc2cccc(Cl)c2)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.47
▸ MAOA P21397 4/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ S1PR1 P21453 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45
▸ ALOX5 P09917 1/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ FFAR1 O14842 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MMP1 P03956 3/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ GID4 Q8IVV7 1/20 0.38

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
SCHEMBL28070012 0.89 KDM4E (0.43) MAOBMAOAKDM1AMAPK1
SCHEMBL28069950 0.84 KDM1A (0.45) MAOBMAOAKDM1AALOX5FFAR1
SCHEMBL23888261 0.76 S1PR1 (0.51) MAOBMAOAKDM1AS1PR1S1PR5
SCHEMBL31703542 0.67 S1PR1 (0.51) MAOBMAOAKDM1AS1PR1S1PR5
SCHEMBL31703574 0.64 ALOX5 (0.66) MAOBMAOAALOX5RXRARXRB
SCHEMBL5089357 0.64 ALOX5 (0.59) MAOBMAOAALOX5RXRARXRB
SCHEMBL1287464 0.64 KDM1A (1.00) MAOBMAOAKDM1A
SCHEMBL2551590 0.64 KDM1A (1.00) MAOBMAOAKDM1A
SCHEMBL2362164 0.64 KDM1A (1.00) MAOBMAOAKDM1A
Methyl Alcohol SCHEMBL9626623 0.63 RXRA (0.68) MAOBMAOAALOX5RXRARXRB

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
CN-105555365-A Methods and compositions for modulating cancer stem cells THE UNIV OF CANBERRA 2016-05-04 — — CN disclosed
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