SCHEMBL8335136

SCHEMBL8335136

CCCCOc1c(C=CC(=O)c2ccccc2)cc(C(C)(C)C)c(OCCCC)c1OC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.44
BCHE P06276 6/20 0.42
DPP4 P27487 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 4/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL7186088 0.81 DPP4 (0.48) TNFRSF1ADPP4PTPN1MAPTALDH1A1
SCHEMBL7179993 0.80 ABCG2 (0.47) TNFRSF1ADPP4PTPN1ABCG2
SCHEMBL7179995 0.80 ABCG2 (0.47) TNFRSF1ADPP4PTPN1ABCG2
SCHEMBL8154302 0.78 BCHE (0.48) BCHEDPP4PTPN1ACHENPC1
SCHEMBL7192140 0.77 CYP1A1 (0.48) TNFRSF1ADPP4PTPN1MAPTALDH1A1
SCHEMBL7186869 0.76 MAOB (0.46) TNFRSF1ADPP4PTPN1NPC1MAPT
SCHEMBL7178811 0.76 PTPN1 (0.52) DPP4PTPN1ABCG2
SCHEMBL7804855 0.76 ABCG2 (0.47) TNFRSF1ADPP4PTPN1MAPTALDH1A1
SCHEMBL7186862 0.76 MAOB (0.46) TNFRSF1ADPP4PTPN1NPC1MAPT
SCHEMBL7804856 0.76 ABCG2 (0.47) TNFRSF1ADPP4PTPN1MAPTALDH1A1

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
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed