SCHEMBL7182749

SCHEMBL7182749

CCc1cc(CC)c(OC)c(C=CC(=O)c2ccc(O)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
CAPN1 P07384 1/20 0.50
CTSB P07858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
P4HB P07237 1/20 0.49
CALM1 P0DP23 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
F3 P13726 1/20 0.49
XDH P47989 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
PTPN1 P18031 2/20 0.46
DPP4 P27487 2/20 0.46

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
SCHEMBL7182743 1.00 CTSL (0.50) CTSLCAPN1CTSBTDP1MAPT
SCHEMBL7184022 0.90 CA1 (0.55) CTSLCTSBMAPTALDH1A1ABCG2
SCHEMBL7184025 0.90 CA1 (0.55) CTSLCTSBMAPTALDH1A1ABCG2
SCHEMBL7179100 0.89 CTSL (0.47) CTSLCAPN1CTSBTDP1MAPT
SCHEMBL7179097 0.89 CTSL (0.47) CTSLCAPN1CTSBTDP1MAPT
SCHEMBL7192261 0.89 MAOB (0.54) CTSLCAPN1CTSBTDP1MAPT
SCHEMBL7192265 0.89 MAOB (0.54) CTSLCAPN1CTSBTDP1MAPT
SCHEMBL7192557 0.88 ABCG2 (0.43) CTSLCTSBMAPTMEN1ALDH1A1
SCHEMBL7192561 0.88 ABCG2 (0.43) CTSLCTSBMAPTMEN1ALDH1A1
SCHEMBL7183727 0.86 ABCG2 (0.43) CTSLCAPN1CTSBTDP1MAPT

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