SCHEMBL19633491

SCHEMBL19633491

C[Si](C(=O)c1ccccc1)(c1ccccc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ELANE P08246 1/20 0.40
ADCY1 Q08828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
KMO O15229 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL19622284 0.75 CES2 (0.32) POLBELANEADCY1ALDH1A1GAA
SCHEMBL2622738 0.71 NR1H2 (0.54) POLBALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL10864231 0.69 CES1 (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10863561 0.69 CES1 (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17323160 0.69 GAA (0.38) POLBALDH1A1RAB9AGAAMEN1
SCHEMBL3293759 0.69 AKR1C3 (0.39) POLBELANEALDH1A1RAB9AGAA
SCHEMBL1314540 0.68 NR1H2 (0.37) POLBALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL6546163 0.68 TSHR (0.40) POLBELANEALDH1A1RAB9ASMN1; SMN2
SCHEMBL7077404 0.67 HPGD (0.36) POLBELANEALDH1A1RAB9AGAA
SCHEMBL1776842 0.67 HPGD (0.36) POLBELANEADCY1ALDH1A1RAB9A

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
WO-2019170811-A1 DENTAL IMPRESSION MATERIAL DENTSPLY DETREY GMBH (DE) 2019-09-12 WO disclosed
WO-2017198843-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-11-23 WO disclosed