SCHEMBL21389200

SCHEMBL21389200

O=C(O)CSCC(=O)NCCN1C(=O)CCC1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.36
▸ USP2 O75604 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ FABP3 P05413 2/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ P2RX7 Q99572 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL26745878 0.86 USP2 (0.40) PTGER4USP2GAAFABP3FABP4
SCHEMBL21389216 0.86 USP2 (0.40) PTGER4USP2GAAFABP3FABP4
SCHEMBL21389218 0.86 USP2 (0.40) PTGER4USP2GAAFABP3FABP4
SCHEMBL24796624 0.85 PTGER4 (0.35) PTGER4USP2GAAFABP3FABP4
SCHEMBL21384151 0.85 PTGER4 (0.35) PTGER4USP2GAAFABP3FABP4
SCHEMBL21383827 0.85 PTGER4 (0.35) PTGER4USP2GAAFABP3FABP4
SCHEMBL26744951 0.84 PTGER4 (0.39) PTGER4USP2GAAP2RX7
SCHEMBL21389220 0.84 L3MBTL1 (0.34) PTGER4USP2GAAFABP3FABP4
SCHEMBL26745025 0.84 PTGER4 (0.39) PTGER4USP2GAAP2RX7
SCHEMBL21389103 0.77 KMT2A (0.44) GAAFABP3FABP4L3MBTL1ALDH1A1

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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