SCHEMBL7890967

SCHEMBL7890967

CCOC(=O)C(C(C)C)N(N)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
PIN1 Q13526 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7898631 0.82 MEN1 (0.48) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL9810832 0.75 SMN1; SMN2 (0.44) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL9508600 0.74 TRPM8 (0.47) ALDH1A1MAPTLMNAHPGDPGR
SCHEMBL15787845 0.74 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10HPGDCA12
SCHEMBL28320439 0.74 TRPM8 (0.45) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL4667859 0.73 TRPM8 (0.47) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL12272832 0.71 DGAT1 (0.43) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL7371261 0.71 TRPM8 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL16050447 0.70 MEN1 (0.54) MEN1KMT2ANPC1PIN1ALDH1A1
SCHEMBL31388076 0.70 ADRA2C (0.43) ALDH1A1MAPTL3MBTL1POLBHSD17B10

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-6191284-B1 A FERROCENEYLPHOSPHINE LIGAND AND COMPLEXES USEFUL FOR HOMOGENEOUS CATALYTIC ENANTIOSELECTIVE HYDROGENATION DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed