SCHEMBL27672005

SCHEMBL27672005

COC(=O)c1cccc(OC(O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL6283849 0.88 SMN1; SMN2 (0.54) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL6174966 0.86 SMN1; SMN2 (0.59) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL30744976 0.84 LMNA (0.56) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL1854891 0.84 LMNA (0.56) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
Methyl 3-Methoxybenzoate SCHEMBL29702092 0.83 SMN1; SMN2 (0.73) SMN1; SMN2TP53TSHRRAB9ANPC1
Methyl 3-Methoxybenzoate SCHEMBL384913 0.83 SMN1; SMN2 (0.73) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL2436534 0.83 L3MBTL1 (0.65) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL8795241 0.83 SMN1; SMN2 (0.52) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL14571997 0.82 PRSS1 (0.56) SMN1; SMN2TP53L3MBTL1TSHRLOXL2
SCHEMBL7944868 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TP53L3MBTL1TSHRLOXL2

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
CN-86107486-A The synthetic method of Biphenylylmethylcarbinol 1988-05-11 CN claimed