SCHEMBL8953753

SCHEMBL8953753

COCOc1cccc(C(=O)C2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KDM2B Q8NHM5 5/20 0.42
CCR2 P41597 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.40
FYN P06241 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
SCHEMBL8953781 0.79 ALDH1A1 (0.43) L3MBTL1KDM2BCCR2ALDH1A1KMT2A
SCHEMBL28124115 0.77 PARP1 (0.67) KMT2APARP1FYN
SCHEMBL9308093 0.77 MRGPRX4 (0.51) KDM2BALDH1A1
SCHEMBL3148484 0.75 KMT2A (0.66) KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL30442255 0.75 MAOB (0.62) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3151885 0.75 MAOB (0.62) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8953864 0.75 MAOB (0.47) KDM2BALDH1A1KMT2ARAB9A
SCHEMBL8953796 0.74 KMT2A (0.51) KDM2BALDH1A1KMT2ARAB9A
SCHEMBL3069825 0.74 MRGPRX4 (0.56) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6356224 0.74 KMT2A (0.47) KMT2ARAB9ANPC1PARP1FYN

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed