SCHEMBL29032003

SCHEMBL29032003

CCCO[Si](CCCNC1CCCCC1)(OCCC)OCCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 4/20 0.41
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
CXCR4 P61073 4/20 0.38
CXCL12 P48061 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 8/20 0.36
EPHX2 P34913 1/20 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
SCHEMBL132342 0.87 CXCR4 (0.40) CYP1A2CYP2D6CYP2C19KDM4ECXCR4
SCHEMBL25166827 0.86 EPHX1 (0.36) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL15367114 0.82 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C19KDM4EGNAI3
SCHEMBL28313436 0.80 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19KDM4ECXCR4
SCHEMBL56457 0.80 KDM4E (0.42) KDM4ECXCR4CXCL12ALDH1A1EPHX2
SCHEMBL27841107 0.79 CXCR4 (0.37) CYP1A2CYP2D6CYP2C19KDM4ECXCR4
SCHEMBL730245 0.79 CXCR4 (0.37) CYP1A2CYP2D6CYP2C19KDM4ECXCR4
SCHEMBL30423000 0.77 CXCR4 (0.40) KDM4ECXCR4CXCL12
SCHEMBL28958501 0.76 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL555892 0.76 KDM4E (0.41) CYP1A2CYP2D6CYP2C19KDM4ECXCR4

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-115195217-B Transparent laminated board based on glued membrane 卡里福热师私人有限公司 2024-07-30 CN disclosed
CN-115195217-A Transparent laminate based on adhesive film 卡里福热师私人有限公司 2022-10-18 CN disclosed