SCHEMBL7192207

SCHEMBL7192207

Cc1cc(C)c(OC(C)C)c(C=CC(=O)c2ccc(O)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
F3 P13726 2/20 0.44
CAPN1 P07384 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P4HB P07237 1/20 0.43
CALM1 P0DP23 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
XDH P47989 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL7192204 1.00 MAPT (0.46) MAPTRAB9APOLBMAOAMAOB
SCHEMBL7181470 0.90 CA1 (0.46) MAPTRAB9ACTSLCTSBMEN1
SCHEMBL7181465 0.90 CA1 (0.46) MAPTRAB9ACTSLCTSBMEN1
SCHEMBL7180216 0.89 CYP3A4 (0.41)
SCHEMBL7180220 0.89 CYP3A4 (0.41)
SCHEMBL7186566 0.85 ABCG2 (0.55) MAPTRAB9APOLBMAOAMAOB
SCHEMBL7186568 0.85 ABCG2 (0.55) MAPTRAB9APOLBMAOAMAOB
SCHEMBL7179998 0.82 ABCG2 (0.57) MAPTRAB9APOLBMAOAMAOB
SCHEMBL7179996 0.82 ABCG2 (0.57) MAPTRAB9APOLBMAOAMAOB
SCHEMBL7180108 0.82 CAPN1 (0.48) MAPTRAB9APOLBMAOAMAOB

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