SCHEMBL7184507

SCHEMBL7184507

CCCOc1c(C=CC(=O)c2ccc(O)cc2)cc(CC)c(O)c1CC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.54
CAPN1 P07384 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 4/20 0.45
PTPN1 P18031 2/20 0.45
MAOB P27338 2/20 0.44
CHRNA7 P36544 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7184505 1.00 ABCG2 (0.54) ABCG2CAPN1CTSLCTSBTDP1
SCHEMBL7191533 0.91 CTSL (0.46) ABCG2CTSLCTSBDPP4PTPN1
SCHEMBL7191531 0.91 CTSL (0.46) ABCG2CTSLCTSBDPP4PTPN1
SCHEMBL7192084 0.91 ABCG2 (0.52) ABCG2CAPN1CTSLCTSBTDP1
SCHEMBL7192082 0.91 ABCG2 (0.52) ABCG2CAPN1CTSLCTSBTDP1
SCHEMBL7189556 0.89 DPP4 (0.42) ABCG2CTSLCTSBDPP4PTPN1
SCHEMBL7189560 0.89 DPP4 (0.42) ABCG2CTSLCTSBDPP4PTPN1
SCHEMBL7182909 0.89 ABCG2 (0.52) ABCG2CAPN1CTSLCTSBTDP1
SCHEMBL7182906 0.89 ABCG2 (0.52) ABCG2CAPN1CTSLCTSBTDP1
SCHEMBL7804846 0.87 PTPN1 (0.56) ABCG2CAPN1CTSLCTSBTDP1

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