SCHEMBL23736378

SCHEMBL23736378

CCC(O)N(C(O)CC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.39
ADH1C P00326 3/20 0.39
SHBG P04278 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH1B P00325 1/20 0.31
FDPS P14324 1/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
TSHR P16473 1/20 0.30
TP53 P04637 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
SCHEMBL1548849 0.98 SHBG (0.41) ADH1AADH1CSHBGMEN1ALDH1A1
SCHEMBL28984361 0.81 ADH1A (0.36) ADH1AADH1CMEN1ALDH1A1KMT2A
SCHEMBL30504869 0.81 SHBG (0.34) ADH1AADH1CSHBGMEN1ALDH1A1
SCHEMBL25220133 0.81 FDPS (0.42) ADH1AADH1CSHBGMEN1ALDH1A1
SCHEMBL22162275 0.79 SHBG (0.38) ADH1AADH1CSHBGMEN1ALDH1A1
SCHEMBL28984363 0.78 CYP1A2 (0.35) ADH1AADH1CMEN1ALDH1A1KMT2A
SCHEMBL28984358 0.76 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL13088993 0.74 PIK3CD (0.44) MEN1ALDH1A1POLBCYP2C19KMT2A
SCHEMBL16055688 0.73 ALDH1A1 (0.37) ADH1AADH1CMEN1ALDH1A1POLB
SCHEMBL28333138 0.73 ALDH1A1 (0.37) ADH1AADH1CMEN1ALDH1A1POLB

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-11090603-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-08-17 US claimed
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