SCHEMBL20152450

SCHEMBL20152450

Cc1cc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL20152466 0.96 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL20152481 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL5961798 0.85 KMT2A (0.41) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL5961803 0.80 KMT2A (0.44) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL11412242 0.78 POLB (0.53) ALDH1A1KMT2APOLBTDP1SMN1; SMN2
SCHEMBL20152470 0.77 KMT2A (0.42) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL20276018 0.77 KMT2A (0.42) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL12718792 0.77 TDP1 (0.39) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL25500845 0.77 KMT2A (0.61) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL22432168 0.75 KMT2A (0.46) ALDH1A1KMT2AMEN1POLBTDP1

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
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed