SCHEMBL28048673

SCHEMBL28048673

CCC(=O)c1cc(C)c(O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
HMGCR P04035 1/20 0.47
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PTGS1 P23219 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
G6PD P11413 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13284210 0.89 HSP90AB1 (0.52) HSP90AB1HMGCRCYP3A4KMT2AMEN1
SCHEMBL4841923 0.85 HMGCR (0.58) HSP90AB1HMGCRCYP3A4KMT2AMEN1
SCHEMBL7953584 0.85 HSP90AB1 (0.45) HSP90AB1HMGCRCYP3A4KMT2AMEN1
SCHEMBL11542741 0.83 ALDH1A1 (0.43) HSP90AB1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL5463869 0.82 GSK3B (0.46) CYP3A4KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8688635 0.80 RAB9A (0.41) CYP3A4KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL9896417 0.79 ATM (0.39) HMGCRCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL10101902 0.79 HSP90AB1 (0.46) HSP90AB1HMGCRCYP3A4KMT2AMEN1
SCHEMBL28654509 0.76 CA12 (0.56) CYP3A4KMT2AALDH1A1HSD17B10HPGD
SCHEMBL24413933 0.76 PKM (0.49) HSP90AB1HMGCRCYP3A4KMT2AMEN1

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
CN-109641879-A Terazololine-one compound and application thereof 住友化学株式会社 2019-04-16 CN disclosed
CN-107428737-A Terazololine-one compound and application thereof 住友化学株式会社 2017-12-01 CN disclosed
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