SCHEMBL11564142

SCHEMBL11564142

CCOC(=O)Cc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
IL18 Q14116 1/20 0.48
TBXAS1 P24557 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
USP14 P54578 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LIPE Q05469 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL4801215 0.92 CYP2A6 (0.50) RAB9AMAPTKDM4ELMNAMAPK1
SCHEMBL6651458 0.87 F10 (0.49) PARP15PARP10PARP2RAB9AMAPT
SCHEMBL11564197 0.85 RAB9A (0.54) PARP15PARP10PARP2RAB9AMAPT
SCHEMBL10566464 0.83 RAB9A (0.56) RAB9AMAPTKDM4ELMNAPOLB
SCHEMBL11244931 0.81 NPC1 (0.56) RAB9AMAPTLMNAMAPK1ALDH1A1
SCHEMBL20351641 0.81 MAPT (0.44) RAB9AMAPTKDM4EMEN1LMNA
SCHEMBL6651903 0.80 SLC6A4 (0.56) PARP15PARP10PARP2RAB9AMAPT
SCHEMBL6917099 0.80 SRD5A2 (0.57) PARP15PARP10PARP2RAB9AMAPT
SCHEMBL181473 0.79 HPGD (0.61) PARP10RAB9AMAPTPOLBTBXAS1
SCHEMBL68851 0.79 CYP4Z1 (0.62) RAB9AMAPTKDM4EMEN1LMNA

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