SCHEMBL27778249

SCHEMBL27778249

Cc1ccc(C(C)CC(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
STAT3 P40763 1/20 0.46
TRPA1 O75762 4/20 0.41
GRIA4 P48058 1/20 0.40
CHRNA7 P36544 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19392447 0.81 ACHE (0.53) ACHESTAT3TRPA1GRIA4CHRNA7
SCHEMBL18545311 0.80 TRPA1 (0.39) ACHETRPA1ESR1ESR2
SCHEMBL4582172 0.79 TRPA1 (0.63) TRPA1ALDH1A1
SCHEMBL2418955 0.79 TRPA1 (0.63) TRPA1ALDH1A1
SCHEMBL11558117 0.78 ACHE (0.39) ACHESTAT3CHRNA7ALOX5TDP1
SCHEMBL9630740 0.77 NOS2 (0.37) TRPA1ALDH1A1
SCHEMBL6546413 0.77 TRPA1 (0.55) ACHESTAT3TRPA1CNR1CNR2
SCHEMBL11241173 0.77 ESR1 (0.52) ESR1ESR2ALOX5
SCHEMBL11235771 0.77 TRPA1 (0.50) TRPA1GRIA4ALDH1A1
SCHEMBL6113339 0.77 STAT3 (0.50) ACHESTAT3TRPA1GRIA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553214-A Compositions and methods for treating, controlling, reducing, ameliorating, or preventing allergy BAUSCH & LOMB (US) 2009-10-07 CN disclosed
CN-101528208-A Compositions and methods for treating or preventing glaucoma or its progression BAUSCH & LOMB (US) 2009-09-09 CN disclosed