SCHEMBL7796243

SCHEMBL7796243

CC(C)(C)Oc1cc(OC(C)(C)C)c(C(C)(C)C)cc1C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.60
DPP4 P27487 4/20 0.57
ABCG2 Q9UNQ0 3/20 0.56
IDH1 O75874 1/20 0.56
ABCB1 P08183 1/20 0.56
UGT1A1 P22309 1/20 0.56
ABCC1 P33527 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
CAPN1 P07384 1/20 0.55
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 2/20 0.49
CHRNA7 P36544 1/20 0.48
P4HB P07237 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A1 P04798 1/20 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
SCHEMBL7796241 1.00 PTPN1 (0.60) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7189520 0.89 PTPN1 (0.50) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7189516 0.89 PTPN1 (0.50) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7192603 0.88 PTPN1 (0.52) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7186582 0.88 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7186580 0.88 PTPN1 (0.78) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7192605 0.88 PTPN1 (0.52) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL9113945 0.88 PTPN1 (0.64) PTPN1DPP4ABCG2MAOBMEN1
SCHEMBL7190688 0.87 ABCG2 (0.47) PTPN1DPP4ABCG2IDH1ABCB1
SCHEMBL7184470 0.87 ABCG2 (0.47) PTPN1DPP4ABCG2IDH1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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