SCHEMBL23736385

SCHEMBL23736385

CCCCC(O)N(C(C)C)C(O)CCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SPHK1 Q9NYA1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CA2 P00918 2/20 0.33
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
CA1 P00915 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL23736361 0.93 TP53 (0.48) TP53SPHK1FDPSOPRM1GPR84
SCHEMBL920167 0.87 ALDH1A1 (0.40) TP53SPHK1ALDH1A1DNM1FDPS
SCHEMBL2242807 0.84 TSHR (0.38) TP53SPHK1
SCHEMBL23736358 0.81 SPHK1 (0.39) TP53SPHK1ALDH1A1DNM1FDPS
SCHEMBL465349 0.79 GPR84 (0.44) TP53SPHK1FDPSOPRM1GPR84
SCHEMBL3167288 0.79 TSHR (0.38) TP53SPHK1
SCHEMBL37135 0.77 GPR84 (0.48) TP53SPHK1FDPSGPR84FFAR1
SCHEMBL28308657 0.77 TSHR (0.36) TP53SPHK1
SCHEMBL9700521 0.77 GPR84 (0.48) TP53SPHK1FDPSGPR84FFAR1
SCHEMBL14446359 0.77 GPR84 (0.48) TP53SPHK1FDPSGPR84FFAR1

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 3 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