SCHEMBL4234764

SCHEMBL4234764

COC(=O)c1ccc(OC)c(OC)c1CCl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 5/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28626652 0.80 MAPT (0.43) MAPTTDP1PDE4DALDH1A1KDM4E
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.79 ALDH1A1 (0.57) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL28781948 0.77 SMN1; SMN2 (0.39) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL24136599 0.76 LMNA (0.55) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL30466421 0.76 LMNA (0.55) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL23051546 0.76 MAPT (0.51) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL1434290 0.76 MAPT (0.71) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL315804 0.75 LMNA (0.52) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL18280341 0.75 MAPT (0.56) MAPTTDP1PDE4DALDH1A1KDM4E
SCHEMBL857226 0.75 KDM4E (0.65) MAPTTDP1PDE4DALDH1A1KDM4E

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-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed