SCHEMBL7185637

SCHEMBL7185637

CCCOc1c(C(C)C)cc(C(C)C)c(O)c1C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.53
MAOB P27338 2/20 0.46
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
DPP4 P27487 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F3 P13726 2/20 0.39
PTPN1 P18031 2/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
P4HB P07237 1/20 0.38
CALM1 P0DP23 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 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
SCHEMBL7185636 1.00 ABCG2 (0.53) ABCG2MAOBPOLBLMNADPP4
SCHEMBL7189283 0.92 ABCG2 (0.52) ABCG2MAOBPOLBLMNACYP1A1
SCHEMBL7189288 0.92 ABCG2 (0.52) ABCG2MAOBPOLBLMNACYP1A1
SCHEMBL7191523 0.91 ABCG2 (0.43) ABCG2MAOBLMNADPP4CYP1A1
SCHEMBL7191521 0.91 ABCG2 (0.43) ABCG2MAOBLMNADPP4CYP1A1
SCHEMBL8335068 0.90 ABCG2 (0.52) ABCG2MAOBPOLBLMNADPP4
SCHEMBL7184797 0.89 ABCG2 (0.42) ABCG2MAOBLMNADPP4CYP1A1
SCHEMBL7184801 0.89 ABCG2 (0.42) ABCG2MAOBLMNADPP4CYP1A1
SCHEMBL7186231 0.85 CTSL (0.49) ABCG2MAOBDPP4CAPN1CTSL
SCHEMBL7186236 0.85 CTSL (0.49) ABCG2MAOBDPP4CAPN1CTSL

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