SCHEMBL9837291

SCHEMBL9837291

CCC(CC)(OC)c1cccc(OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP3A4 P08684 1/20 0.50
ACHE P22303 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
Phosphonic Acid SCHEMBL8579080 0.94 LMNA (0.45) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL9638880 0.85 ELANE (0.43) CYP3A4NPC1RAB9AKDM4EPOLB
SCHEMBL1788142 0.81 CYP3A4 (0.57) LMNACYP3A4ACHEKMT2AMEN1
Phosphonic Acid SCHEMBL8582001 0.81 ELANE (0.39) CYP3A4NPC1RAB9AKDM4EPOLB
Phosphonic Acid SCHEMBL8583461 0.79 CES2 (0.40) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL338192 0.77 CYP3A4 (0.65) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL11435725 0.76 CYP3A4 (0.62) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL869141 0.76 CYP3A4 (0.58) LMNACYP3A4ACHEALDH1A1KDM4E
SCHEMBL249305 0.74 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL17028900 0.74 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1

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-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO disclosed