SCHEMBL20003355

SCHEMBL20003355

CCNCCNCCNCCNCCNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.39
KDM1A O60341 5/20 0.37
TP53 P04637 1/20 0.37
SAT1 P21673 2/20 0.36

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
SCHEMBL20733072 1.00 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL20003356 1.00 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL18551185 1.00 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4744731 0.97
SCHEMBL4745076 0.88 LMNA (0.32) TP53
SCHEMBL17766691 0.88 LMNA (0.32) TP53
SCHEMBL4745112 0.88 LMNA (0.32) TP53
SCHEMBL17766693 0.88 LMNA (0.32) TP53
SCHEMBL4746164 0.88 LMNA (0.32) TP53
SCHEMBL25569446 0.87 CYP2C19 (0.62) CYP2C19MEN1GLAKMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055802-A Acid gas remover, acid gas removal method, absorption device provided with acid gas remover, and acid gas cleaning device AGC株式会社 2024-05-17 CN disclosed
US-9931610-B2 Carbon dioxide separating material and method for separation or recovery of carbon dioxide RESEARCH INSTITUTE OF INNOVATIVE TECHNOLOGY FOR THE EARTH (JP) 2018-04-03 US disclosed