SCHEMBL4920293

SCHEMBL4920293

CCC(C)(C)N.CCC(CC)(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
GGT1 P19440 1/20 0.37
TSHR P16473 2/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 1/20 0.36
ARG1 P05089 2/20 0.35
ARG2 P78540 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
BLM P54132 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRM4 Q14833 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL173322 0.86 FFAR3 (0.41) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL4924134 0.84 MEN1 (0.41) ALDH1A1MEN1CYP1A2KMT2ATHRB
Pivalate SCHEMBL4918285 0.83 ALDH1A1 (0.44) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL4928121 0.83 CYP1A2 (0.38) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL6818431 0.83 FFAR3 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
Ammonia Solution, Strong SCHEMBL9700926 0.83 FFAR3 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL28210395 0.83 FFAR3 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
Bicarbonate SCHEMBL8042430 0.83 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2KMT2ATHRB
Bicarbonate SCHEMBL8038848 0.83 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL27684861 0.83 FFAR3 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB

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
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-20080312351-A1 Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-12-18 US disclosed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed