SCHEMBL28071032

SCHEMBL28071032

O=COCC(O)C1Cc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 2/20 0.33
NPY1R P25929 1/20 0.33
IDO1 P14902 3/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL28070925 0.81
SCHEMBL7945628 0.71 ACE (0.38) IDO1
SCHEMBL28292382 0.69 IDO1 (0.43) IDO1
SCHEMBL8699123 0.68 ALDH1A1 (0.37) PRMT5
Ethoxycarbonyl Group SCHEMBL28071030 0.68 DRD3 (0.36) IDO1
SCHEMBL4666509 0.67 IDO1 (0.41) IDO1
SCHEMBL28295597 0.67 PNMT (0.37) IDO1
SCHEMBL27497694 0.67 IDO1 (0.58) IDO1
SCHEMBL9865740 0.66 KDM4E (0.50) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL24890476 0.64 IDO1 (0.43) IDO1

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
CN-105793266-B Spiro-oxazolones 豪夫迈·罗氏有限公司 2019-02-12 CN disclosed
CN-105814062-A Spiro-oxazolones 豪夫迈·罗氏有限公司 2016-07-27 CN disclosed
CN-105793266-A Spiro-oxazolones 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed