SCHEMBL28192064

SCHEMBL28192064

COc1ccccc1CC(=O)C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
TTR P02766 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 5/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL800460 0.86 HPGD (0.54) KMT2ATTRTAAR1MEN1HPGD
SCHEMBL29431297 0.79 HSD17B10 (0.61) KMT2ATTRTAAR1MEN1NPC1
SCHEMBL155982 0.79 HSD17B10 (0.61) KMT2ATTRTAAR1MEN1NPC1
1,2-Dimethoxybenzene SCHEMBL27707733 0.79 KMT2A (0.69) KMT2AHPGDHTTPOLBTSHR
Hydrochloric Acid SCHEMBL2527513 0.78 HSD17B10 (0.59) KMT2ATTRTAAR1MEN1NPC1
SCHEMBL28215186 0.78 HSD17B10 (0.59) KMT2ATTRTAAR1MEN1NPC1
SCHEMBL28118170 0.77 ATM (0.58) KMT2ATTRTAAR1MEN1HPGD
SCHEMBL1419560 0.77 KMT2A (0.53) KMT2AMEN1HPGDHTTNPC1
SCHEMBL7971405 0.76 TAAR1 (0.55) KMT2ATTRTAAR1MEN1NPC1
SCHEMBL30040153 0.76 TAAR1 (0.55) KMT2ATTRTAAR1MEN1NPC1

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
CN-107548397-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 CN disclosed
CN-107548396-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 CN disclosed