SCHEMBL9614867

SCHEMBL9614867

O=C(Nc1ccc(Cl)cc1)C(O)C(O)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.52
CNR1 P21554 1/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 5/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
EPHX1 P07099 2/20 0.48
NLRP3 Q96P20 2/20 0.48
NLRP1 Q9C000 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL701232 0.94 KMT2A (0.54) NPC1MEN1KMT2AGAAATM
SCHEMBL18137202 0.94 KMT2A (0.54) NPC1MEN1KMT2AGAAATM
SCHEMBL8555704 0.91 NPC1 (0.58) NPC1MEN1KMT2AGAAATM
SCHEMBL7086042 0.83 MEN1 (0.57) NPC1MEN1KMT2AGAAATM
SCHEMBL28589171 0.83 MEN1 (0.57) NPC1MEN1KMT2AGAAATM
SCHEMBL28581175 0.83 MEN1 (0.57) NPC1MEN1KMT2AGAAATM
SCHEMBL17364296 0.81 PDE4A (0.46) NPC1MEN1KMT2AGAAATM
SCHEMBL5227347 0.81 ALDH1A1 (0.61) NPC1MEN1KMT2AGAAATM
SCHEMBL10816152 0.80 NPC1 (0.60) NPC1MEN1KMT2AGAAATM
SCHEMBL8269130 0.80 NPC1 (0.50) NPC1MEN1KMT2AGAAATM

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
JP-4108773-A None JP disclosed
JP-H04108773-A PRODUCTION OF OPTICALLY ACTIVE 1-(P-CHLOROPHENYL)-1-(2-PYRIDYL)-3-DIMETHYLAMINOPROPANE TORAY IND INC 1992-04-09 JP disclosed