SCHEMBL28062813

SCHEMBL28062813

CCO[Si](C)(OCC)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
FBP1 P09467 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 2/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL2957216 0.86 TP53 (0.32) CYP1A2
SCHEMBL28062847 0.86 EGFR (0.39) ALDH1A1HPGDSMN1; SMN2NPC1GABRA1
SCHEMBL17937791 0.85 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2NPC1GABRA1
SCHEMBL3675040 0.83 GABRG2 (0.43) ALDH1A1HPGDSMN1; SMN2NPC1GABRA1
SCHEMBL28062814 0.83 EGFR (0.42) ALDH1A1HPGDSMN1; SMN2NPC1GAA
SCHEMBL17937587 0.80 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1GABRA1
SCHEMBL17937733 0.80 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2NPC1GABRA1
SCHEMBL28062720 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1GABRG2GABRB3
SCHEMBL4453580 0.78 CYP3A4 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1MAPT
SCHEMBL15736454 0.78 ACHE (0.38) FBP1EGFRIDO1AGXTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed