SCHEMBL8076449

SCHEMBL8076449

CCCCC[SiH](CCCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CSNK1E P49674 1/20 0.35
PTGS2 P35354 1/20 0.34
NAAA Q02083 3/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL418321 0.90 LTA4H (0.38) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL8992386 0.88 DNM1 (0.40) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL9643720 0.88 DNM1 (0.40) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL418038 0.88 DNM1 (0.40) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL415280 0.88 DNM1 (0.40) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL417994 0.84 LTA4H (0.38) SMN1; SMN2TSHRCES2CES1PCSK9
SCHEMBL8076437 0.81 AKR1B1 (0.44) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL31216290 0.80 CES2 (0.38) SMN1; SMN2MEN1KMT2ACES2CES1
SCHEMBL31216297 0.80 TSHR (0.46) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL10317670 0.79 NPC1 (0.35) SMN1; SMN2MEN1KMT2ACES2CES1

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
EP-0673942-B1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds SHINETSU CHEMICAL CO (JP) 2000-11-08 EP disclosed
EP-0673942-A1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-27 EP disclosed