SCHEMBL18293146

SCHEMBL18293146

O=C1CCC(=O)N1OOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 2/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20997478 0.81 ALOX12 (0.54) PARLALOX12ALDH1A1TSHRPKM
SCHEMBL1929687 0.81 ALOX12 (0.54) PARLALOX12ALDH1A1TSHRPKM
Hydrochloric Acid SCHEMBL6606867 0.79 ALOX12 (0.53) PARLALOX12ALDH1A1TSHRPKM
SCHEMBL9386766 0.75 ALOX12 (0.49) PARLALOX12ALDH1A1TSHRPKM
SCHEMBL6343082 0.73 ALDH1A1 (0.43) ALDH1A1PKMGAAMAPK1HPGD
SCHEMBL142445 0.73 ALDH1A1 (0.47) ALDH1A1PKMMAPK1KMT2ADDB1
SCHEMBL11323517 0.73 ALDH1A1 (0.47) ALDH1A1PKMMAPK1KMT2ADDB1
SCHEMBL1279658 0.71 ALDH1A1 (0.46) ALDH1A1PKMMAPK1KMT2ADDB1
SCHEMBL19763139 0.71 ALDH1A1 (0.50) ALDH1A1PKMMAPK1KMT2ADDB1
SCHEMBL30293247 0.71 POLB (0.56) ALOX12ALDH1A1TSHRPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016197078-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS, INC. (US) 2016-12-08 WO disclosed