SCHEMBL28709451

SCHEMBL28709451

COc1ccc(CC(C)=O)cc1.COc1ccc(CC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
CTBP2 P56545 1/20 0.58
PKM P14618 2/20 0.56
LDHA P00338 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
F2RL1 P55085 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL48525 1.00 HTT (0.66) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL9262585 0.94 HTT (0.59) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL9417745 0.94 HTT (0.59) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL7149097 0.94 HTT (0.59) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL29111694 0.89 POLB (0.57) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL11346487 0.89 HTT (0.54) HTTPOLBSMN1; SMN2CTBP2PKM
Propylene Glycol SCHEMBL29111692 0.89 POLB (0.62) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL18327985 0.88 HTT (0.53) HTTPOLBSMN1; SMN2CTBP2PKM
SCHEMBL12895869 0.86 SMN1; SMN2 (0.57) HTTPOLBSMN1; SMN2PKMALDH1A1
Anisole SCHEMBL29180163 0.86 ALDH1A1 (0.58) HTTSMN1; SMN2ALDH1A1USP2TP53

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
CN-114088855-A Feces biomarker for early diagnosis of tibial cartilage dysplasia of broiler chicken and application thereof 河南农业大学 2022-02-25 CN disclosed