SCHEMBL21389220

SCHEMBL21389220

C#C[C@@H]1CCC(=O)N1CCNC(=O)CSCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ USP2 O75604 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ P2RX7 Q99572 5/20 0.33
▸ FABP3 P05413 2/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL21389200 0.84 PTGER4 (0.36) L3MBTL1PTGER4USP2GAAP2RX7
SCHEMBL21389216 0.82 USP2 (0.40) PTGER4USP2GAAP2RX7FABP3
SCHEMBL26745878 0.82 USP2 (0.40) PTGER4USP2GAAP2RX7FABP3
SCHEMBL21389218 0.82 USP2 (0.40) PTGER4USP2GAAP2RX7FABP3
SCHEMBL24796624 0.81 PTGER4 (0.35) L3MBTL1PTGER4USP2GAAP2RX7
SCHEMBL21383827 0.81 PTGER4 (0.35) L3MBTL1PTGER4USP2GAAP2RX7
SCHEMBL21384151 0.81 PTGER4 (0.35) L3MBTL1PTGER4USP2GAAP2RX7
SCHEMBL26744951 0.81 PTGER4 (0.39) PTGER4USP2GAAP2RX7
SCHEMBL26745025 0.81 PTGER4 (0.39) PTGER4USP2GAAP2RX7
SCHEMBL21389103 0.74 KMT2A (0.44) L3MBTL1GAAFABP3FABP4ALDH1A1

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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