SCHEMBL7949922

SCHEMBL7949922

Cc1cc(C)c(C)c(C(O)C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
FABP4 P15090 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
GRM1 Q13255 3/20 0.32
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7948082 0.87 KDM4E (0.38) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL7948080 0.87 KDM4E (0.38) KDM4ELMNAMAPK1BLMNPSR1
Acetic Acid SCHEMBL7951725 0.84 KDM4E (0.36) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL13453369 0.80 LMNA (0.39) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL1573058 0.77 LMNA (0.48) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL29030339 0.77 KDM4E (0.41) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL1573057 0.77 LMNA (0.48) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL28799205 0.77 KDM4E (0.41) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL27646821 0.74 LMNA (0.35) KDM4ELMNAMAPK1BLMNPSR1
SCHEMBL6063901 0.73 GRM1 (0.39) KDM4ELMNAMAPK1BLMNPSR1

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-2001096277-A1 METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYL MANDELIC ACID AND 2,3,4,6-TETRAMETHYL MANDELIC ACID ACETATE BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 WO disclosed