SCHEMBL9115103

SCHEMBL9115103

CCCc1c(/C=C/C(=O)c2ccc(O)cc2)cc(OC)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.58
CTSB P07858 4/20 0.58
CAPN1 P07384 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.56
MAOB P27338 1/20 0.55
TNFRSF1A P19438 1/20 0.55
DPP4 P27487 3/20 0.54
PTPN1 P18031 1/20 0.53
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
MAPT P10636 3/20 0.51
P4HB P07237 1/20 0.51
CALM1 P0DP23 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
F3 P13726 1/20 0.51
XDH P47989 1/20 0.51

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
SCHEMBL9113780 1.00 CTSL (0.58) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9111913 0.93 TNFRSF1A (0.64) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL9111920 0.93 TNFRSF1A (0.64) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL9112991 0.89 DPP4 (0.59) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL9112998 0.89 DPP4 (0.59) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL9112959 0.88 DPP4 (0.61) ABCG2TNFRSF1ADPP4PTPN1MAPT
SCHEMBL9112950 0.88 DPP4 (0.61) ABCG2TNFRSF1ADPP4PTPN1MAPT
SCHEMBL9112775 0.85 ABCG2 (0.56) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9113149 0.85 PTPN1 (0.64) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9113144 0.85 PTPN1 (0.64) CTSLCTSBCAPN1TDP1ABCG2

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 1 patent. 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