SCHEMBL9705690

SCHEMBL9705690

CCOC(=O)CC[SiH2]C(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL9147236 0.86 CYP1A2 (0.46) CYP1A2GAAALDH1A1KMT2ACYP4F2
SCHEMBL29035547 0.83 MAPT (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL29028318 0.80 HTR2C (0.42) CYP1A2ALDH1A1KMT2APOLB
SCHEMBL29035575 0.78 MAPT (0.36) CYP1A2GAAMGAMSIMGAM2
SCHEMBL29028328 0.78 HTR2C (0.47) CYP1A2TSHR
SCHEMBL331066 0.73 THRB (0.42) LMNA
SCHEMBL28311835 0.73 CYP1A2 (0.32) CYP1A2KMT2ALMNACYP3A4ALOX15
SCHEMBL8839180 0.73 NAAA (0.47) GAAALDH1A1
SCHEMBL693118 0.72 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8161125 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224562-B1 SILANE MODIFIED POLYMERS PCR GROUP, INC. (US) 1992-07-22 EP disclosed
US-4775725-A Silane modified polymers PCR, INC. (US) 1988-10-04 US disclosed
EP-0224562-A4 SILANE MODIFIED POLYMERS. SCM CORP (US) 1987-09-15 EP disclosed
EP-0224562-A1 SILANE MODIFIED POLYMERS. SCM CORP (US) 1987-06-10 EP disclosed
WO-1986007072-A1 SILANE MODIFIED POLYMERS SCM CORPORATION (US) 1986-12-04 WO disclosed