SCHEMBL8325636

SCHEMBL8325636

CC[Si](CC)(CC)Oc1cccc(-c2cccc(S)c2-c2cccc(O[Si](CC)(CC)CC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
FABP4 P15090 6/20 0.33
PTGS2 P35354 1/20 0.33
DHFR P00374 1/20 0.33
FABP5 Q01469 4/20 0.32
MAOB P27338 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TDO2 P48775 1/20 0.32
FABP3 P05413 2/20 0.32
FABP1 P07148 1/20 0.32
GCGR P47871 1/20 0.32
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31

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
SCHEMBL8647456 0.83 FABP4 (0.35) BRD4FABP4PTGS2AKR1C3AKR1C2
SCHEMBL8322952 0.82 ENPP1 (0.35)
SCHEMBL8322919 0.77 ADORA2A (0.37) ADORA2AADORA1MAOBRXRARXRB
SCHEMBL244495 0.76 KDM4E (0.40) ADORA2AADORA1RXRARXRBAKR1C3
SCHEMBL8320388 0.71 PTGS2 (0.39) FABP4PTGS2RXRARXRBAKR1C3
SCHEMBL8318362 0.69 PTPN1 (0.47) FABP4PTGS2FABP5RXRARXRB
SCHEMBL8322205 0.69 ELANE (0.44) PTGS2RXRARXRBAKR1C3AKR1C2
SCHEMBL10013789 0.69 ACHE (0.52)
SCHEMBL8648344 0.68 PTGS2 (0.38) PTGS2
SCHEMBL8383144 0.67 TP53 (0.32) BRD4BRD2CREBBP

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed