SCHEMBL9115776

SCHEMBL9115776

CCCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.76
CYP1A1 P04798 3/20 0.76
CYP1B1 Q16678 3/20 0.76
DPP4 P27487 5/20 0.71
MAPT P10636 5/20 0.70
LMNA P02545 2/20 0.70
HPGD P15428 1/20 0.70
ALDH1A1 P00352 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PTPN1 P18031 1/20 0.64
ABCG2 Q9UNQ0 2/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAOB P27338 1/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL9114708 1.00 TNFRSF1A (0.76) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL7192316 0.95 TNFRSF1A (0.76) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL7192320 0.95 TNFRSF1A (0.76) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL8161192 0.93 TNFRSF1A (0.73) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL8161195 0.93 TNFRSF1A (0.73) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL9115191 0.92 TNFRSF1A (0.71) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL9115209 0.90 CYP1A1 (0.72) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL9112505 0.90 TNFRSF1A (0.80) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL9112510 0.90 TNFRSF1A (0.80) TNFRSF1ACYP1A1CYP1B1DPP4MAPT
SCHEMBL29575068 0.89 TNFRSF1A (0.74) TNFRSF1ACYP1A1CYP1B1DPP4MAPT

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 disclosed