SCHEMBL9113149

SCHEMBL9113149

C=CCc1c(C=CC(=O)c2ccc(O)cc2)cc(OC)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.64
CAPN1 P07384 1/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.55
MAOB P27338 1/20 0.54
TNFRSF1A P19438 1/20 0.54
DPP4 P27487 4/20 0.53
IDH1 O75874 1/20 0.52
ABCB1 P08183 1/20 0.52
UGT1A1 P22309 1/20 0.52
ABCC1 P33527 1/20 0.52
PRMT6 Q96LA8 1/20 0.52

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
SCHEMBL9113144 1.00 PTPN1 (0.64) PTPN1CAPN1CTSLCTSBTDP1
SCHEMBL9112327 0.93 PTPN1 (0.65) PTPN1ABCG2MAOBTNFRSF1ADPP4
SCHEMBL9112321 0.93 PTPN1 (0.65) PTPN1ABCG2MAOBTNFRSF1ADPP4
SCHEMBL9111964 0.88 PTPN1 (0.67) PTPN1ABCG2MAOBTNFRSF1ADPP4
SCHEMBL9114536 0.88 PTPN1 (0.67) PTPN1ABCG2TNFRSF1A
SCHEMBL9114538 0.88 PTPN1 (0.67) PTPN1ABCG2TNFRSF1A
SCHEMBL9111958 0.88 PTPN1 (0.67) PTPN1ABCG2MAOBTNFRSF1ADPP4
SCHEMBL9112313 0.86 DPP4 (0.58) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL9112315 0.86 DPP4 (0.58) PTPN1ABCG2TNFRSF1ADPP4
SCHEMBL9113780 0.85 CTSL (0.58) PTPN1CAPN1CTSLCTSBTDP1

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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed