SCHEMBL2242807

SCHEMBL2242807

CCCC(O)N(C(C)C)C(O)CCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AOC3 Q16853 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
SCHEMBL3167288 0.94 TSHR (0.38) TSHRTP53LMNASPHK1CHRM1
SCHEMBL28308657 0.92 TSHR (0.36) TSHRTP53LMNASPHK1
SCHEMBL588488 0.85 TSHR (0.36) TSHRLMNASPHK1CHRM1AKR1A1
SCHEMBL23736385 0.84 TP53 (0.40) TP53SPHK1
SCHEMBL8219047 0.83 TSHR (0.38) TSHRLMNASPHK1CHRM1AKR1A1
SCHEMBL8154263 0.83 TSHR (0.38) TSHRLMNASPHK1CHRM1AKR1A1
SCHEMBL23736361 0.82 TP53 (0.48) TP53LMNASPHK1
Sulfuric Acid SCHEMBL27095077 0.81 TP53 (0.41) TSHRTP53LMNACHRM1AKR1A1
SCHEMBL23736364 0.79 TSHR (0.36) TSHRLMNASPHK1
SCHEMBL8218781 0.78 LMNA (0.37) TSHRLMNACHRM1AKR1A1CHRM3

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-20230104687-A1 NOVEL AMINE COMPOUND, ACID GAS ABSORBENT, METHOD FOR REMOVING ACID GAS, AND ACID GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2023-04-06 US disclosed
CN-115805003-A Novel amine compound, acid gas absorbent, method for removing acid gas, and acid gas removal device 株式会社东芝 2023-03-17 CN disclosed
US-11090603-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-08-17 US disclosed
US-7994250-B2 Vinyl-urethane copolymers with intermediary linkage segments having silicon-oxygen bonds and production methods thereof KONISHI CO., LTD. (JP) 2011-08-09 US disclosed
EP-1837360-A1 VINYL-URETHANE COPOLYMER AND METHOD FOR PRODUCING SAME Konishi Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20070117902-A1 Vinyl-urethane copolymers and production methods thereof KONISHI CO., LTD. (JP) 2007-05-24 US disclosed