SCHEMBL27613778

SCHEMBL27613778

C[C](C)Cc1cccc(O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ IAPP P10997 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSPA5 P11021 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 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
SCHEMBL2545614 0.83 IAPP (0.50) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL845508 0.79 HSPA5 (0.56) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL7497072 0.79 AKR1B1 (0.60) MAPTHSD17B10HSPA5AKR1B1HPGD
SCHEMBL3907285 0.79 AKR1B1 (0.67) TRPA1ATMIAPPMAPTGAA
SCHEMBL1039776 0.78 TRPA1 (0.48) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL5210376 0.78 GAA (0.50) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL286623 0.77 PDCD1 (0.55) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL2021799 0.77 GABRA1 (0.58) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL30970850 0.77 GABRA1 (0.58) TRPA1ATMIAPPMAPTHSD17B10
SCHEMBL5398644 0.76 TRPA1 (0.50) TRPA1ATMIAPPMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413494-C Albuterol inhalation solution, system, kit and method for relieving symptoms of pediatric asthma DEY LP (US) 2008-08-27 — — CN disclosed
CN-1939279-A Albuterol and ipratropium inhalation solution, system, kit and method for relieving symptoms of chronic obstructive pulmonary disease DEY L P (US) 2007-04-04 — — CN disclosed
CN-1720036-A Albuterol inhalation solution, system, kit and method for relieving symptoms of pediatric asthma DEY LP (US) 2006-01-11 — — CN disclosed
CN-1607940-A Salbutamol and ipratropium inhalation solutions, systems, kits and methods for alleviating symptoms of chronic obstructive pulmonary disease DEY L P (US) 2005-04-20 — — CN disclosed
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