SCHEMBL11565671

SCHEMBL11565671

CCOC(=O)C(Br)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
IL18 Q14116 1/20 0.46
ALDH1A1 P00352 1/20 0.41
PGR P06401 3/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.40
HRH2 P25021 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
SCHEMBL9259272 0.93 GSK3B (0.45) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL11564487 0.86 MAPT (0.51) PARP15PARP10PARP2KDM4EMAPT
SCHEMBL10430511 0.80 PARP15 (0.49) PARP15PARP10PARP2KDM4EMAPT
SCHEMBL8849171 0.80 MMP8 (0.43) MEN1LMNAMAPK1KMT2AALDH1A1
SCHEMBL31198066 0.78 HTT (0.46) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL6067964 0.77 MMP8 (0.47) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL6787347 0.77 ALOX15 (0.49) KDM4EMAPTRAB9AMEN1LMNA
SCHEMBL5077987 0.77 GSK3B (0.47) KDM4EMAPTRAB9AMEN1LMNA
SCHEMBL14707620 0.76 HTT (0.46) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL2579163 0.76 HTT (0.46) KDM4EMAPTMEN1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed