SCHEMBL8835932

SCHEMBL8835932

C=CC(C)(N)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TSHR P16473 3/20 0.36
ACHE P22303 2/20 0.36
CASR P41180 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SLC6A2 P23975 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
Hydrochloric Acid SCHEMBL9902496 0.82 TRPA1 (0.38) GABRA1GABRB2TDP1CYP3A4CA1
SCHEMBL10977897 0.78 TSHR (0.39) GABRA1GABRB2TSHRACHECASR
SCHEMBL28019131 0.78 TSHR (0.39) GABRA1GABRB2TSHRACHECASR
SCHEMBL14421892 0.75 GABRA1 (0.41) GABRA1GABRB2TSHRACHECASR
SCHEMBL29581427 0.75 TSHR (0.45) GABRA1GABRB2TSHRACHECASR
SCHEMBL29025450 0.75 TSHR (0.45) GABRA1GABRB2TSHRACHECASR
SCHEMBL2131884 0.75 TSHR (0.45) GABRA1GABRB2TSHRACHECASR
SCHEMBL164361 0.75 TSHR (0.45) GABRA1GABRB2TSHRACHECASR
SCHEMBL26222955 0.75 TSHR (0.45) GABRA1GABRB2TSHRACHECASR
SCHEMBL9686340 0.75 MEN1 (0.37) GABRA1GABRB2TSHRACHECASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643968-A POLYSULFONE BACKBONE GRAFTED TO ANIONIC ADDITION POLYMERS THE GRAVER COMPANY (US) 1997-07-01 US claimed
EP-0679167-A1 PROCESS FOR PRODUCING ION EXCHANGE MEMBRANES, AND THE ION EXCHANGE MEMBRANES PRODUCED THEREBY The Graver Company (US) 1995-11-02 EP claimed
WO-1994016002-A1 PROCESS FOR PRODUCING ION EXCHANGE MEMBRANES, AND THE ION EXCHANGE MEMBRANES PRODUCED THEREBY ALLIEDSIGNAL INC. (US) 1994-07-21 WO claimed
US-5643968-A POLYSULFONE BACKBONE GRAFTED TO ANIONIC ADDITION POLYMERS THE GRAVER COMPANY (US) 1997-07-01 US disclosed
EP-0679167-A1 PROCESS FOR PRODUCING ION EXCHANGE MEMBRANES, AND THE ION EXCHANGE MEMBRANES PRODUCED THEREBY The Graver Company (US) 1995-11-02 EP disclosed
WO-1994016002-A1 PROCESS FOR PRODUCING ION EXCHANGE MEMBRANES, AND THE ION EXCHANGE MEMBRANES PRODUCED THEREBY ALLIEDSIGNAL INC. (US) 1994-07-21 WO disclosed