SCHEMBL9419062

SCHEMBL9419062

CC1CN(CCCCc2ccc(Cl)cc2)CC(C)O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.63
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 3/20 0.51
EBP Q15125 1/20 0.50
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL9191837 0.85 SIGMAR1 (0.63) SIGMAR1ALDH1A1EBPKDM4ETDP1
SCHEMBL9631832 0.85 SIGMAR1 (0.53) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9631480 0.82 ALDH1A1 (0.49) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9633375 0.80 POLB (0.50) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9631876 0.77 ALDH1A1 (0.52) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9631471 0.77 ALDH1A1 (0.52) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9631825 0.76 SIGMAR1 (0.50) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9631473 0.76 SIGMAR1 (0.50) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL9449910 0.74 CCR1 (0.52) SIGMAR1KMT2AALDH1A1POLBEBP
SCHEMBL12288152 0.74 SIGMAR1 (0.54) SIGMAR1KMT2AALDH1A1POLBKDM4E

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-5358958-A Process for foliar fungicide treatment and fungicide composition for implementing the process RHONE-POULENC SECTEUR AGROCHIMIE (FR) 1994-10-25 US disclosed