SCHEMBL21153657

SCHEMBL21153657

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ SDCBP O00560 4/20 0.38
▸ SDC2 P34741 4/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ PLA2G5 P39877 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PTGS1 P23219 4/20 0.33
▸ PTGS2 P35354 4/20 0.33
▸ MBTPS1 Q14703 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
SCHEMBL22238251 0.91 EPHX2 (0.35) EPHX2FNTAFNTBMEN1KMT2A
SCHEMBL21727091 0.88 FAAH (0.43) MEN1KMT2APTGS1PTGS2
SCHEMBL23583708 0.87 MEN1 (0.45) EPHX2MEN1KMT2ANPSR1PTGS1
SCHEMBL26083211 0.86 CASP1 (0.35) EPHX2
SCHEMBL22841014 0.83 CASP1 (0.36) PTGS1PTGS2
SCHEMBL24860469 0.81 C3AR1 (0.36) EPHX2FNTAFNTBMEN1KMT2A
SCHEMBL19514146 0.80 PTGS1 (0.55) EPHX2FNTAFNTBSDCBPSDC2
SCHEMBL15189321 0.80 PTGS1 (0.55) EPHX2FNTAFNTBSDCBPSDC2
SCHEMBL19257728 0.80 NMT1 (0.39) —
SCHEMBL24802425 0.79 CASP1 (0.32) —

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
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 — — WO disclosed
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