SCHEMBL27205705

SCHEMBL27205705

CC(O)CNCCC(C)CN

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.32
ADRB2 P07550 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL85952 0.82 ANPEP (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL25542455 0.79 ALDH1A1 (0.40) KMT2AALDH1A1ADRB2CYP1A2CYP2D6
SCHEMBL19774600 0.77
SCHEMBL436917 0.77 KMT2A (0.40) KMT2AALDH1A1ADRB2CYP1A2CYP2D6
SCHEMBL14406165 0.77 KMT2A (0.40) KMT2AALDH1A1ADRB2CYP1A2CYP2D6
SCHEMBL169586 0.77
SCHEMBL727619 0.75 KMT2A (0.47) KMT2AALDH1A1ADRB2CYP1A2CYP2D6
SCHEMBL27794421 0.75
SCHEMBL19055982 0.75
SCHEMBL11014748 0.75 CA12 (0.48) KMT2AALDH1A1ADRB2CYP1A2CYP2D6

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
EP-3891260-B1 HYDROGEN SULPHIDE AND MERCAPTANS SCAVENGING COMPOSITIONS TOTALENERGIES ONETECH (FR) 2024-09-11 EP disclosed
US-11952546-B2 Hydrogen sulphide and mercaptans scavenging compositions TOTAL MARKETING SERVICES (FR) 2024-04-09 US disclosed
US-20220041944-A1 HYDROGEN SULPHIDE AND MERCAPTANS SCAVENGING COMPOSITIONS TOTAL MARKETING SERVICES (FR) 2022-02-10 US disclosed