SCHEMBL8599433

SCHEMBL8599433

NCC1CCC(C(=O)NCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
HPGD P15428 2/20 0.69
USP2 O75604 1/20 0.69
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD11B1 P28845 1/20 0.53
MC4R P32245 1/20 0.53
HTR1A P08908 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.52
F11 P03951 1/20 0.52

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
SCHEMBL8599432 1.00 ALDH1A1 (0.69) ALDH1A1HPGDUSP2NPSR1MEN1
Hydrochloric Acid SCHEMBL3794359 0.98 ALDH1A1 (0.68) ALDH1A1HPGDUSP2NPSR1MEN1
Hydrochloric Acid SCHEMBL8595569 0.98 ALDH1A1 (0.68) ALDH1A1HPGDUSP2NPSR1MEN1
SCHEMBL29675228 0.89 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1MEN1
SCHEMBL2469546 0.89 ALDH1A1 (0.86) ALDH1A1HPGDUSP2NPSR1MEN1
SCHEMBL13714308 0.85 MEN1 (0.56) ALDH1A1HPGDUSP2MEN1KMT2A
SCHEMBL15679868 0.85 POLB (0.64) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL14428878 0.85 MAPT (0.61) ALDH1A1HPGDUSP2MAPK1
SCHEMBL5521157 0.84 ALDH1A1 (0.78) ALDH1A1HPGDUSP2NPSR1MEN1
SCHEMBL7338382 0.83 ALDH1A1 (0.76) ALDH1A1HPGDUSP2NPSR1MEN1

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
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 EP disclosed