SCHEMBL9201577

SCHEMBL9201577

CCc1ccc(OC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1.COc1ccc(C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.52
CAPN1 P07384 1/20 0.51
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PTPN1 P18031 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TNFRSF1A P19438 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 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
SCHEMBL7184726 0.94 ABCG2 (0.57) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7190651 0.91 ABCG2 (0.61) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7190280 0.86 ABCG2 (0.55) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7184382 0.84 LMNA (0.51) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7189298 0.84 DPP4 (0.47) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7192282 0.83 LMNA (0.58) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7185759 0.83 ABCG2 (0.43) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7186631 0.83 PTPN1 (0.59) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7185855 0.82 LMNA (0.49) ABCG2CAPN1LMNAMAPTSMN1; SMN2
SCHEMBL7181384 0.82 ABCG2 (0.53) ABCG2CAPN1LMNAMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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