SCHEMBL29918141

SCHEMBL29918141

CC(C)(C)OC(=O)N1CCc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C1.Clc1ccc(COc2ccc(-c3nc4c(o3)CCNC4)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.58
S1PR1 P21453 6/20 0.58
S1PR3 Q99500 5/20 0.58
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
APAF1 O14727 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRMT5 O14744 4/20 0.39
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL23306557 0.94 S1PR5 (0.64) S1PR5S1PR1S1PR3HSD17B10HPGD
SCHEMBL15166548 0.85 S1PR5 (0.64) S1PR5S1PR1S1PR3PRMT5GRM5
SCHEMBL23306543 0.82 S1PR5 (0.55) S1PR5S1PR1S1PR3HSD17B10HPGD
SCHEMBL23348429 0.81 S1PR5 (0.67) S1PR5S1PR1S1PR3HSD17B10HPGD
SCHEMBL321185 0.78 S1PR1 (0.64) S1PR5S1PR1S1PR3ALDH1A1MAPT
SCHEMBL15164308 0.78 ESR2 (0.50) S1PR5S1PR1S1PR3GRM5MAPT
SCHEMBL23306662 0.76 S1PR5 (0.42) S1PR5S1PR1S1PR3GRM5KDM4E
SCHEMBL30785585 0.76 MEN1 (0.44) S1PR5S1PR1S1PR3HSD17B10HPGD
SCHEMBL18549983 0.76 MAPT (0.52) S1PR5S1PR1S1PR3PRMT5ALDH1A1
SCHEMBL15164311 0.75 GRM5 (0.47) S1PR5S1PR1S1PR3GRM5MAPT

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
EP-4051683-A1 SOLID FORMS OF AN S1P-RECEPTOR MODULATOR Escape Bio, Inc. (US) 2022-09-07 EP disclosed