SCHEMBL9129255

SCHEMBL9129255

C=CCNC(C)(CO)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
TSHR P16473 2/20 0.36
VNN1 O95497 1/20 0.36
POLB P06746 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PNMT P11086 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9133067 1.00 FDPS (0.39) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL9133069 1.00 FDPS (0.39) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL9776007 0.82 FDPS (0.43) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL9129221 0.81 MEN1 (0.40) FDPSTSHRVNN1POLBCYP1A2
Hydrochloric Acid SCHEMBL27753528 0.81 FDPS (0.39) FDPSTSHRPOLBSIGMAR1IDO1
SCHEMBL9776031 0.81 FDPS (0.42) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL139768 0.81 FDPS (0.46) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL9130916 0.77 TDP1 (0.45) TSHRCYP1A2CYP2C19CYP3A4MEN1
SCHEMBL9776015 0.77 PRMT5 (0.46) FDPSTSHRVNN1POLBSIGMAR1
SCHEMBL9776133 0.76 PLAAT3 (0.47) FDPSVNN1SIGMAR1CYP1A2CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237366-B1 AMINO ALCOHOLS, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS, IN PARTICULAR FOR THEREPEUTICAL USE JOUVEINAL S.A. (FR) 1989-04-26 EP claimed
EP-0237366-A1 Amino alcohols, process for their preparation and their applications, in particular for therepeutical use JOUVEINAL S.A. (FR) 1987-09-16 EP claimed
US-5472970-A Allylaminoesters and their application in therapeutics INSTITUT DE RECHERCHE JOUVEINAL S.A. (FR) 1995-12-05 US disclosed
WO-1995010501-A1 ALLYLAMINOESTERS, METHOD FOR THEIR PREPARATION AND THERAPEUTIC USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (I.R.J.) (FR) 1995-04-20 WO disclosed
US-4994617-A Analgesics JOUVEINAL S.A. (FR) 1991-02-19 US disclosed
EP-0237366-B1 AMINO ALCOHOLS, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS, IN PARTICULAR FOR THEREPEUTICAL USE JOUVEINAL S.A. (FR) 1989-04-26 EP disclosed
EP-0237366-A1 Amino alcohols, process for their preparation and their applications, in particular for therepeutical use JOUVEINAL S.A. (FR) 1987-09-16 EP disclosed