SCHEMBL28958501

SCHEMBL28958501

CCC[Si](OC)(OC)OCCNC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.39
EPHX1 P07099 2/20 0.35
RAD52 P43351 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28495871 0.84 KDM4E (0.43) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL11173392 0.84 KDM4E (0.33) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL27841107 0.78 CXCR4 (0.37) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL556033 0.78 KDM4E (0.45) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL27846854 0.77 KDM4E (0.45) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL29032003 0.76 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL730245 0.75 CXCR4 (0.37) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL56457 0.75 KDM4E (0.42) KDM4EALDH1A1LMNAEPHX2TDP1
SCHEMBL28958504 0.75 EPHX1 (0.36) KDM4EALDH1A1EPHX1EPHX2TDP1
SCHEMBL28313436 0.74 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1

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-110191701-B Composition for enhancing protein strength 株式会社LG生活健康 2023-02-21 CN claimed
CN-115572495-A Process for producing electropositive toner additive 湖北汇富纳米材料股份有限公司 2023-01-06 CN claimed