SCHEMBL28048643

SCHEMBL28048643

CC(C)Oc1ccc(C(=O)CC(=O)O)cc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.40
PDE4B Q07343 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
CSNK2A1 P68400 2/20 0.39
EP300 Q09472 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL28048633 0.86 ALDH1A1 (0.50) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL27945951 0.84 POLB (0.51) POLBALDH1A1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL27933632 0.82 POLB (0.53) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL28016532 0.81 PDE4B (0.45) POLBALDH1A1TSHRKMT2AMAPT
SCHEMBL28016861 0.76 NPC1 (0.51) HDAC1HDAC8HDAC6HPGDFFAR4
SCHEMBL16370064 0.74 KMT2A (0.49) POLBALDH1A1TSHRKMT2ACSNK2A1
SCHEMBL12227520 0.72 RORC (0.48) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL2589062 0.72 ALDH1A1 (0.50) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL12697235 0.71 NOS3 (0.50) POLBALDH1A1TSHRMAPTNOS3
SCHEMBL2772853 0.70 ALDH1A1 (0.48) POLBALDH1A1TSHRKMT2AMEN1

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-105263921-B Terazololine-one compound and its application 住友化学株式会社 2017-07-21 CN disclosed
CN-105263921-A Tetrazolinone compound and application of same SUMITOMO CHEMICAL CO 2016-01-20 CN disclosed