SCHEMBL7192084

SCHEMBL7192084

CCOc1c(C=CC(=O)c2ccc(O)cc2)cc(CC)c(O)c1CC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.52
MAOB P27338 2/20 0.52
CAPN1 P07384 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN1 P18031 3/20 0.47
CHRNA7 P36544 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
DPP4 P27487 3/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7192082 1.00 ABCG2 (0.52) ABCG2MAOBCAPN1CTSLCTSB
SCHEMBL7192063 0.91 CTSL (0.47) ABCG2MAOBCTSLCTSBPTPN1
SCHEMBL7184507 0.91 ABCG2 (0.54) ABCG2MAOBCAPN1CTSLCTSB
SCHEMBL7184505 0.91 ABCG2 (0.54) ABCG2MAOBCAPN1CTSLCTSB
SCHEMBL7192068 0.91 CTSL (0.47) ABCG2MAOBCTSLCTSBPTPN1
SCHEMBL7804846 0.89 PTPN1 (0.56) ABCG2MAOBCAPN1CTSLCTSB
SCHEMBL7804847 0.89 PTPN1 (0.56) ABCG2MAOBCAPN1CTSLCTSB
SCHEMBL7184929 0.89 PTPN1 (0.42) ABCG2MAOBCTSLCTSBPTPN1
SCHEMBL7184924 0.89 PTPN1 (0.42) ABCG2MAOBCTSLCTSBPTPN1
SCHEMBL7180100 0.87 ABCG2 (0.49) ABCG2MAOBCAPN1CTSLCTSB

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