SCHEMBL9214719

SCHEMBL9214719

CCCCCCC(=C(C#N)C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
CNR1 P21554 3/20 0.44
NR1I2 O75469 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PDE4B Q07343 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL246300 0.99 PTGS2 (0.46) PTGS2CNR1NR1I2TP53TSHR
SCHEMBL10591928 0.89 NR1I2 (0.47) PTGS2NR1I2PDE4BHDAC1HDAC8
SCHEMBL9218096 0.86 MMP2 (0.42) NR1I2TSHRPDE4BHDAC1HDAC8
SCHEMBL3824921 0.86 EPHX2 (0.51) NPC1RAB9APLA2G4B
SCHEMBL27509228 0.84 PTGS2 (0.47) PTGS2CNR1HDAC1HDAC8HDAC3
SCHEMBL8359733 0.84 EPHX2 (0.49) HDAC3HDAC2PLA2G4B
SCHEMBL226431 0.84 NR1I2 (0.59) PTGS2NR1I2HDAC1HDAC8HDAC3
SCHEMBL27352443 0.84 NR1I2 (0.59) PTGS2NR1I2HDAC1HDAC8HDAC3
SCHEMBL27832896 0.79 PTGS2 (0.56) PTGS2TSHRRAB9A
SCHEMBL25303952 0.77 NR1I2 (0.54) PTGS2CNR1NR1I2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551510-B1 PHOTOSTABLE FILTERING COSMETIC COMPOSITION CONTAINING A UV-A FILTER AND A 4-METHOXY BENZYLIDENE CYANOACETATE OREAL (FR) 1995-09-27 EP claimed
US-9296204-B2 Inkjet recording method and inkjet recording device RICOH COMPANY, LTD. (JP) 2016-03-29 US disclosed
US-20140204156-A1 INKJET RECORDING METHOD AND INKJET RECORDING DEVICE RICOH COMPANY, LTD, (JP) 2014-07-24 US disclosed