SCHEMBL18539817

SCHEMBL18539817

CCO[Si](CCCOc1c(C)cc(CCC[Si](OCC)(OCC)OCC)cc1C)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ S1PR2 O95136 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18539810 0.81 TLR4 (0.33) KMT2AMEN1LMNAUSP2ALOX15
SCHEMBL17442492 0.74 ALDH1A1 (0.36) LMNAHTR2AHSD17B10
SCHEMBL15736943 0.73 IDO1 (0.34) —
SCHEMBL15672369 0.73 — —
SCHEMBL14226990 0.72 PTGS2 (0.46) —
SCHEMBL15736593 0.72 NOS3 (0.31) —
SCHEMBL11209960 0.71 NPC1 (0.30) HSD17B10
SCHEMBL15736789 0.71 — —
SCHEMBL15736353 0.70 IDO1 (0.40) KMT2AMEN1ATM
SCHEMBL15387165 0.69 CHRM2 (0.44) KMT2AMEN1HTR1AADRA1A

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
US-20170051224-A1 HYDROGENATED POLYMERS WITH A RADIAL STRUCTURE HAVING A CORE BASED ON CALIXARENES AND USE THEREOF IN LUBRICANT COMPOSITIONS ENI S.P.A. (IT) 2017-02-23 — — US disclosed
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