SCHEMBL11565294

SCHEMBL11565294

CCC(C(=O)O)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
AKR1C1 Q04828 1/20 0.50
PTGS1 P23219 1/20 0.50
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 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
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2474521 0.91 GAA (0.48) AKR1C3AKR1C2AKR1C1PTGS1MAPT
SCHEMBL6649963 0.88 PTGS1 (0.51) AKR1C3AKR1C2AKR1C1PTGS1PARP15
SCHEMBL11563036 0.80 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1PARP10
SCHEMBL11640849 0.80 PARP15 (0.53) AKR1C3AKR1C2PTGS1PARP15PARP10
SCHEMBL30372489 0.79 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1MAPT
SCHEMBL7387904 0.78 SLC6A3 (0.47) MAPTPOLBLMNAKDM4EL3MBTL1
SCHEMBL1741211 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1PARP10
SCHEMBL28689101 0.77 HTT (0.45) MAPTKDM4EMEN1KMT2AFNTA
SCHEMBL1574429 0.77 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1POLB
SCHEMBL25253804 0.76 GSK3B (0.46) MAPTPOLBKDM4EL3MBTL1TDP1

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