SCHEMBL9722907

SCHEMBL9722907

CCN(CC)c1ccccc1[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
AR P10275 2/20 0.37
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
KMT2A Q03164 2/20 0.33
ACP1 P24666 1/20 0.33
TAAR1 Q96RJ0 4/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 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
SCHEMBL6299189 0.80 TSHR (0.46) MAPTALDH1A1GAATSHRAR
SCHEMBL31718395 0.80 TSHR (0.46) MAPTALDH1A1GAATSHRAR
SCHEMBL10393827 0.79 AR (0.34) MAPTALDH1A1GAATSHRAR
SCHEMBL10392854 0.78 AR (0.36) MAPTALDH1A1GAATSHRAR
SCHEMBL10393862 0.76 MAPT (0.41) MAPTALDH1A1GAATSHRAR
SCHEMBL27337733 0.75 MAPT (0.38) MAPTALDH1A1GAALMNARAB9A
SCHEMBL27159366 0.74 ALDH1A1 (0.45) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL30311684 0.73 TSHR (0.41) MAPTALDH1A1GAATSHRAR
SCHEMBL2326737 0.73 TSHR (0.41) MAPTALDH1A1GAATSHRAR
SCHEMBL29520654 0.71 CYP3A4 (0.46) MAPTALDH1A1TSHRLMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5108595-A Rehydroxylating with water and hydrogen fluoride or a basic activator E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 US disclosed
US-5032266-A Chromatography E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-16 US disclosed
US-4874518-A CHROMATOGRAPHY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-17 US disclosed