SCHEMBL9775967

SCHEMBL9775967

C[C@@](N)(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
BLM P54132 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP1A2 P05177 2/20 0.64
POLB P06746 2/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
EGFR P00533 1/20 0.64
FYN P06241 1/20 0.64
GAA P10253 1/20 0.64
APEX1 P27695 1/20 0.64
ADRA1A P35348 1/20 0.64
PTGS2 P35354 1/20 0.64
MTOR P42345 1/20 0.64

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
SCHEMBL7107116 1.00 MAPT (0.64) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL9422794 1.00 MAPT (0.64) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL6348579 0.87 CYP1A2 (0.74) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL6718607 0.87 CYP1A2 (0.74) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL6348576 0.87 CYP1A2 (0.74) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL29346265 0.84 CYP1A2 (0.57) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL29346264 0.84 CYP1A2 (0.57) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL5539129 0.81 BLM (0.71) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL5539133 0.81 BLM (0.71) MAPTBLMKDM4EALDH1A1CYP1A2
SCHEMBL29346188 0.80 TDP1 (0.52) MAPTBLMKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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