SCHEMBL8083508

SCHEMBL8083508

Cc1cn(C(=O)OCC(C)C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TFPI2 P48307 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 5/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL2114760 0.86 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1TFPI2
SCHEMBL8083506 0.86 P2RX4 (0.46) P2RX4ALDH1A1TSHRMEN1KMT2A
SCHEMBL6857448 0.81 KMT2A (0.71) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8089259 0.81 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TFPI2
SCHEMBL8076309 0.81 KMT2A (0.47) P2RX4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8530899 0.80 KDM1A (0.48) P2RX4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8083502 0.79 BCHE (0.49) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL8076273 0.79 KMT2A (0.67) ALDH1A1MEN1KMT2AL3MBTL1TFPI2
SCHEMBL24877696 0.78 HTR6 (0.52) HDAC1HDAC8HDAC6
SCHEMBL30859499 0.78 HTR6 (0.52) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed