SCHEMBL20045133

SCHEMBL20045133

C=Cc1ccc(OC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
F2 P00734 1/20 0.44
MMP2 P08253 3/20 0.43
HDAC2 Q92769 2/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.41
MMP3 P08254 2/20 0.41

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
SCHEMBL20045125 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL20045129 0.96 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL13607264 0.96 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL16812836 0.88 KMT2A (0.50) ALDH1A1CYP1A2F2PARP10PRSS1
SCHEMBL12931949 0.88 KMT2A (0.50) ALDH1A1CYP1A2F2PARP10PRSS1
SCHEMBL18292254 0.87 MAPT (0.49) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL10581417 0.84 MMP2 (0.48) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL5855876 0.84 MMP2 (0.48) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL8496209 0.83 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6HIF1AF2
SCHEMBL103296 0.83 KMT2A (0.54) ALDH1A1CYP1A2F2PARP10PRSS1

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-20180100105-A1 ANISOTROPIC SCATTERING FILM DIC CORPORATION (JP) 2018-04-12 US disclosed