SCHEMBL9025525

SCHEMBL9025525

CCCCCCNC(C(=O)O)C(=O)CS

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 1/20 0.38
CASP2 P42575 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL1070438 0.86 EPHX1 (0.44) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL11177014 0.85 EPHX1 (0.50) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL7597231 0.85 EPHX1 (0.50) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL9027136 0.84 EPHX1 (0.42) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL6557889 0.83 EPHX1 (0.46) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL3433811 0.82 SMN1; SMN2 (0.40) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL3433807 0.82 SMN1; SMN2 (0.40) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL28576365 0.80 EPHX1 (0.45) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL9338351 0.78 SMN1; SMN2 (0.42) EPHX1FNTAFNTBGPR84FFAR1
SCHEMBL25211227 0.75 NOD1 (0.49) EPHX1FNTAFNTBGPR84FFAR1

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
EP-0726909-A1 N-ALKYL PEPTIDE CHELATE FORMERS, THEIR METAL COMPLEXES WITH RADIONUCLIDES, PROCESSES FOR PRODUCING THEM AND RADIO-PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1996-08-21 EP disclosed
WO-1995012610-A1 N-ALKYL PEPTIDE CHELATE FORMERS, THEIR METAL COMPLEXES WITH RADIONUCLIDES, PROCESSES FOR PRODUCING THEM AND RADIO-PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1995-05-11 WO disclosed