SCHEMBL5738175

SCHEMBL5738175

COc1ccc(CP(c2ccccc2)C(C)P(Cc2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
SLC6A4 P31645 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LDHA P00338 1/20 0.41
HTT P42858 2/20 0.41
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL381566 0.79 LTA4H (0.57) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL381509 0.79 LTA4H (0.57) LTA4HSIGMAR1CA4LDHAHTT
SCHEMBL8156353 0.77 LTA4H (0.55) LTA4HSIGMAR1CA4KMT2ALDHA
SCHEMBL380591 0.77 LTA4H (0.55) LTA4HSIGMAR1CA4LDHAHTT
SCHEMBL14604190 0.77 LTA4H (0.55) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL1144423 0.76 LTA4H (0.53) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL28156449 0.75 LTA4H (0.52) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL28200982 0.75 LTA4H (0.52) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL3310342 0.73 L3MBTL1 (0.44) SIGMAR1MEN1KMT2AHTTIDO1
SCHEMBL27428118 0.73 SLC6A4 (0.51) LTA4HSLC6A4SIGMAR1CA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP claimed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 WO claimed
EP-3856738-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2021-08-04 EP disclosed
WO-2020064818-A1 PROCESS FOR THE PREPARATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST Química Sintética, S.A. (ES) 2020-04-02 WO disclosed
EP-2812296-A1 FIRST ROW METAL-BASED CATALYSTS FOR HYDOSILYLATION The Regents of The University of California (US) 2014-12-17 EP disclosed
WO-2013120057-A1 FIRST ROW METAL-BASED CATALYSTS FOR HYDOSILYLATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-15 WO disclosed
EP-1735269-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005097733-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED BETA AMINO ACID DERIVATIVES MERCK & CO., INC. (US) 2005-10-20 WO disclosed