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Sugi Predict / Compounds / SCHEMBL30554129

SCHEMBL30554129

SCHEMBL30554129

Cc1cc(Cl)cc(C)c1CC(=O)NC1(C(=O)O)CCC2(CC1)OCCC(CCCC1CCOC3(CCC(NC(=O)Cc4c(C)cc(Cl)cc4C)(C(=O)O)CC3)O1)O2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 2/20 0.35
▸ SHMT2 P34897 2/20 0.35
▸ P2RX7 Q99572 13/20 0.34
▸ ERAP1 Q9NZ08 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ FABP4 P15090 1/20 0.30
▸ FABP5 Q01469 1/20 0.30

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
SCHEMBL19838161 0.85 SHMT1 (0.41) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL23326474 0.82 SHMT1 (0.37) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL19838175 0.78 SHMT1 (0.35) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL19838170 0.78 PYGL (0.36) SHMT1SHMT2HPGD
Potassium Ion SCHEMBL21494947 0.76 MAPT (0.34) SHMT1SHMT2P2RX7
SCHEMBL21494989 0.76 MAPT (0.34) SHMT1SHMT2P2RX7
SCHEMBL12738955 0.76 ANO1 (0.37) SHMT1SHMT2P2RX7
SCHEMBL19838268 0.74 SHMT1 (0.35) SHMT1SHMT2P2RX7ERAP1FABP4
SCHEMBL21128298 0.74 MAPT (0.34) SHMT1SHMT2P2RX7HPGD
SCHEMBL20021197 0.74 P2RX7 (0.33) SHMT1SHMT2P2RX7HPGD

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-3494109-B1 PROCESS FOR THE PREPARATION OF SPIROKETAL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2024-10-23 — — EP disclosed
CN-109563066-B Process for preparing spiroketal-substituted cyclic ketoenols 拜耳作物科学股份公司 2023-08-29 — — CN disclosed