SCHEMBL28020854

SCHEMBL28020854

CC(C)(C=C(N)CCCCCN)CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KEAP1 Q14145 1/20 0.40
PAOX Q6QHF9 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.30
RECQL P46063 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
SCHEMBL21049522 0.73 KEAP1 (0.41) SMN1; SMN2KEAP1KDM4EALDH1A1
SCHEMBL18230673 0.70 KEAP1 (0.43) SMN1; SMN2KEAP1KDM4EALDH1A1
SCHEMBL342075 0.65 SMN1; SMN2 (0.40) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL8560109 0.64 KEAP1 (0.83) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL5988693 0.64 KEAP1 (0.83) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL5903339 0.64 KEAP1 (0.83) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL3200530 0.64 KEAP1 (0.83) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL1703703 0.64 KEAP1 (0.83) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL15512227 0.64 KDM4E (0.36) SMN1; SMN2KEAP1KDM4EGAAALDH1A1
SCHEMBL28301264 0.63 MEN1 (0.35) SMN1; SMN2KEAP1KDM4EGAAALDH1A1

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-112533972-A Polyurethane compositions with low content of monomeric diisocyanates SIKA技术股份公司 2021-03-19 CN disclosed
CN-104640894-A Two-component polyurethane composition SIKA TECHNOLOGY AG 2015-05-20 CN disclosed