SCHEMBL8486238

SCHEMBL8486238

CC(O[C]=O)C(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MIF P14174 2/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MME P08473 2/20 0.33

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
SCHEMBL16970628 0.78 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL96935 0.78 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL16970750 0.78 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL5519744 0.75 THRB (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL585330 0.75 TAAR1 (0.41) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL15332155 0.73 CYP3A4 (0.39) LMNAHIF1AALDH1A1KMT2A
SCHEMBL25039979 0.73 THRB (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL857 0.73 IDO1 (0.39) ADRA2ALMNACYP2D6
SCHEMBL609266 0.73 THRB (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL6003200 0.72 ADRA2A (0.35) ADRA2AADRA2CLMNAHIF1AKDM4E

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-1999018082-A1 NOVEL SUBSTITUTED PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed