SCHEMBL9273447

SCHEMBL9273447

C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC(C)C)c(C(C)(C)C=C)c1O.COc1c(C=CC(=O)c2ccc(N)cc2)cc(C)c(O)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.50
IDH1 O75874 1/20 0.49
ABCB1 P08183 1/20 0.49
UGT1A1 P22309 1/20 0.49
DPP4 P27487 1/20 0.49
ABCC1 P33527 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KRAS P01116 1/20 0.37
CAPN1 P07384 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9273445 1.00 PTPN1 (0.50) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7186718 0.87 PTPN1 (0.59) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7186723 0.87 PTPN1 (0.59) PTPN1IDH1ABCB1UGT1A1DPP4
SCHEMBL7191456 0.79 CTSL (0.48) PTPN1CTSLCTSBCA1CA2
SCHEMBL7191453 0.79 CTSL (0.48) PTPN1CTSLCTSBCA1CA2
SCHEMBL7192540 0.78 CTSL (0.57) PTPN1ABCG2CTSLCTSBCA1
SCHEMBL7192544 0.78 CTSL (0.57) PTPN1ABCG2CTSLCTSBCA1
SCHEMBL7180105 0.78 CAPN1 (0.48) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7180108 0.78 CAPN1 (0.48) PTPN1DPP4CTSLCTSBCAPN1
SCHEMBL7191606 0.77 CTSL (0.58) PTPN1DPP4ABCG2CTSLCTSB

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