SCHEMBL7177534

SCHEMBL7177534

C=CC(C)(C)c1cc(/C=C/C(=O)c2ccc(N)cc2)c(OCC)cc1O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 14/20 0.66
▸ DPP4 P27487 5/20 0.66
▸ IDH1 O75874 1/20 0.66
▸ ABCB1 P08183 1/20 0.66
▸ UGT1A1 P22309 1/20 0.66
▸ ABCC1 P33527 1/20 0.66
▸ PRMT6 Q96LA8 1/20 0.66
▸ ABCG2 Q9UNQ0 1/20 0.66
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7177537 1.00 PTPN1 (0.66) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7183855 0.92 PTPN1 (0.64) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7183852 0.92 PTPN1 (0.64) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7186135 0.92 PTPN1 (0.61) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7186133 0.92 PTPN1 (0.61) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7178841 0.92 PTPN1 (0.78) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7178845 0.92 PTPN1 (0.78) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL9274740 0.91 PTPN1 (0.56) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL9274744 0.91 PTPN1 (0.56) PTPN1DPP4IDH1ABCB1UGT1A1
SCHEMBL7178693 0.89 PTPN1 (0.55) PTPN1DPP4IDH1ABCB1UGT1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 — — US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 — — EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 — — US disclosed
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