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Sugi Predict / Compounds / SCHEMBL9203633

SCHEMBL9203633

SCHEMBL9203633

CCc1cc(CC)c(OC(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(=O)C(C)(C)C.Cc1cc(C)c(OC(C)C)c(/C=C/C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1OC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 9/20 0.38
▸ PTPN1 P18031 3/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL9203637 1.00 ELANE (0.38) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7183316 0.95 ELANE (0.42) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7183322 0.95 ELANE (0.42) ELANEPTPN1BCHEABCG2MAOB
SCHEMBL7189192 0.92 ELANE (0.45) ELANEPTPN1BCHEABCG2
SCHEMBL7189198 0.92 ELANE (0.45) ELANEPTPN1BCHEABCG2
SCHEMBL7178715 0.88 PPARG (0.40) ELANEPTPN1BCHEABCG2
SCHEMBL7178711 0.88 PPARG (0.40) ELANEPTPN1BCHEABCG2
SCHEMBL7190380 0.86 PTPN1 (0.46) ELANEPTPN1
SCHEMBL7190378 0.86 PTPN1 (0.46) ELANEPTPN1
SCHEMBL7806429 0.85 ELANE (0.39) ELANEPTPN1BCHEABCG2

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-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 — — EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 — — WO disclosed