SCHEMBL28653162

SCHEMBL28653162

CCCCC(C)(C)c1ccc(C)cc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.49
CNR1 P21554 11/20 0.49
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TRPA1 O75762 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Potassium SCHEMBL29477994 0.98 CNR2 (0.48) CNR2CNR1ESR1ESR2TRPA1
SCHEMBL29477938 0.98 CNR2 (0.48) CNR2CNR1ESR1ESR2TRPA1
SCHEMBL30893100 0.95 CNR2 (0.55) CNR2CNR1ESR1ESR2
SCHEMBL5012934 0.95 CNR2 (0.55) CNR2CNR1ESR1ESR2
Potassium SCHEMBL29477962 0.93 CNR2 (0.53) CNR2CNR1ESR1ESR2
SCHEMBL29477969 0.93 CNR2 (0.53) CNR2CNR1ESR1ESR2
SCHEMBL30893101 0.89 CNR1 (0.48) CNR2CNR1ESR1ESR2TRPA1
Potassium SCHEMBL29478013 0.88 CNR1 (0.47) CNR2CNR1ESR1ESR2TRPA1
SCHEMBL29477964 0.88 CNR1 (0.47) CNR2CNR1ESR1ESR2TRPA1
SCHEMBL8190420 0.86 CNR2 (0.49) CNR2CNR1ESR1ESR2TRPA1

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-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN claimed
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN disclosed
CN-113423683-A Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2021-09-21 CN disclosed