SCHEMBL7192031

SCHEMBL7192031

CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.78
DPP4 P27487 4/20 0.71
CTSL P07711 2/20 0.67
CTSB P07858 2/20 0.67
CAPN1 P07384 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ABCG2 Q9UNQ0 2/20 0.63
IDH1 O75874 1/20 0.63
ABCB1 P08183 1/20 0.63
UGT1A1 P22309 1/20 0.63
ABCC1 P33527 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
SNCA P37840 1/20 0.60
MAOB P27338 1/20 0.60

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
SCHEMBL7192034 1.00 PTPN1 (0.78) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7192537 0.91 PTPN1 (0.73) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7177363 0.91 PTPN1 (0.73) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7179767 0.90 PTPN1 (0.72) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL7179763 0.90 PTPN1 (0.72) PTPN1DPP4CTSLCTSBABCG2
SCHEMBL7184489 0.89 PTPN1 (0.63) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7184485 0.89 PTPN1 (0.63) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7184847 0.88 PTPN1 (0.62) PTPN1DPP4ABCG2SNCA
SCHEMBL7189590 0.88 PTPN1 (1.00) PTPN1
SCHEMBL7189587 0.88 PTPN1 (1.00) PTPN1

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