SCHEMBL7190940

SCHEMBL7190940

Cc1ccc(OC(C)(C)C)c(/C=C/C(=O)c2ccc(O)cc2)c1OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.47
MAPT P10636 4/20 0.46
MAOB P27338 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
F3 P13726 2/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 2/20 0.43
KMT2A Q03164 2/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
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

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
SCHEMBL7190943 1.00 CAPN1 (0.47) CAPN1MAPTMAOBRAB9APOLB
SCHEMBL7186338 0.89 CA1 (0.47) MAPTRAB9AMAOAABCG2CTSL
SCHEMBL7186334 0.89 CA1 (0.47) MAPTRAB9AMAOAABCG2CTSL
SCHEMBL7795817 0.87 ELANE (0.45) MAPTABCG2
SCHEMBL7183873 0.87 ELANE (0.45) MAPTABCG2
SCHEMBL7178729 0.86 ABCG2 (0.40) MAPTMAOAABCG2KMT2AMEN1
SCHEMBL7178727 0.86 ABCG2 (0.40) MAPTMAOAABCG2KMT2AMEN1
SCHEMBL7187821 0.86 ABCG2 (0.40) MAPTRAB9AABCG2KMT2AMEN1
SCHEMBL7187824 0.86 ABCG2 (0.40) MAPTRAB9AABCG2KMT2AMEN1
SCHEMBL7186055 0.86 CAPN1 (0.46) CAPN1MAPTMAOBRAB9AABCG2

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