SCHEMBL11097238

SCHEMBL11097238

CC[Si](C)(C)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CTSD P07339 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
IDO1 P14902 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10787743 0.78 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL149491 0.78 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL10998222 0.78 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL28548128 0.76 NPSR1 (0.37) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL49520 0.74 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL9181403 0.74 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL717181 0.74 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL980166 0.71 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL233879 0.71 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL28846577 0.71 KMT2A (0.36) TSHRALDH1A1NPSR1ALOX12L3MBTL1

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-0112434-A2 Hydrogen bearing silyl carbamates UNION CARBIDE CORPORATION (US) 1984-07-04 EP disclosed
US-4400526-A Hydrogen bearing silyl carbamates UNION CARBIDE CORPORATION (US) 1983-08-23 US disclosed