SCHEMBL9111799

SCHEMBL9111799

COc1cc(/C=C/C(=O)c2ccc(O)cc2)c(C)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.67
CTSB P07858 3/20 0.67
CAPN1 P07384 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
ABCG2 Q9UNQ0 2/20 0.64
MAOB P27338 1/20 0.63
TNFRSF1A P19438 1/20 0.63
DPP4 P27487 3/20 0.61
PTPN1 P18031 1/20 0.60
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
MAPT P10636 3/20 0.58
P4HB P07237 1/20 0.58
CALM1 P0DP23 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
F3 P13726 1/20 0.58
XDH P47989 1/20 0.58

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
SCHEMBL9111800 1.00 CTSL (0.67) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9116001 0.92 TNFRSF1A (0.74) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL9116005 0.92 TNFRSF1A (0.74) ABCG2MAOBTNFRSF1ADPP4PTPN1
SCHEMBL29600833 0.85 TNFRSF1A (0.86) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL6352780 0.85 ABCG2 (0.89) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL7180313 0.85 TNFRSF1A (0.86) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL6352783 0.85 ABCG2 (0.89) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL7180309 0.85 TNFRSF1A (0.86) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9113123 0.85 CTSL (0.61) CTSLCTSBCAPN1TDP1ABCG2
SCHEMBL9114174 0.85 DPP4 (0.64) ABCG2MAOBTNFRSF1ADPP4PTPN1

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