SCHEMBL7190677

SCHEMBL7190677

C=CC(C)(C)c1ccc(OCCC)c(C=CC(=O)c2ccc(O)cc2)c1OCCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.51
ABCG2 Q9UNQ0 4/20 0.50
IDH1 O75874 1/20 0.50
ABCB1 P08183 1/20 0.50
UGT1A1 P22309 1/20 0.50
DPP4 P27487 1/20 0.50
ABCC1 P33527 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
MAOB P27338 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CAPN1 P07384 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7192438 0.95 ABCG2 (0.51) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7185120 0.91 PTPN1 (0.41) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7181162 0.90 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7181157 0.90 PTPN1 (0.53) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7796250 0.89 ABCG2 (0.53) PTPN1ABCG2DPP4MAOBCYP1A1
SCHEMBL7182728 0.89 PTPN1 (0.40) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7185664 0.86 PTPN1 (0.42) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7179160 0.86 PTPN1 (0.51) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7179158 0.86 PTPN1 (0.51) PTPN1ABCG2IDH1ABCB1UGT1A1
SCHEMBL7185258 0.84 PTPN1 (0.41) PTPN1ABCG2IDH1ABCB1UGT1A1

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 5 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
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