SCHEMBL7101055

SCHEMBL7101055

O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc2c([S+]3CCCC3)ccc(OCC3CC4CCC3C4)c2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
MCHR1 Q99705 1/20 0.33
SCN9A Q15858 2/20 0.33
HPGD P15428 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL2754905 0.84 MCHR1 (0.43) BRD4MCHR1SCN9AHPGDPER2
SCHEMBL3159376 0.81 HTT (0.33)
SCHEMBL701702 0.81 TSHR (0.42) HPGD
SCHEMBL5866201 0.80 ALDH1A1 (0.39) HPGD
SCHEMBL704517 0.80 TSHR (0.41) HPGD
SCHEMBL3168087 0.80 HTT (0.32)
SCHEMBL701332 0.79 KMT2A (0.39)
SCHEMBL3149496 0.79 POLB (0.37) HPGD
SCHEMBL3159159 0.79 HTT (0.32) HPGD
SCHEMBL3163450 0.78 HTT (0.31)

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
JP-2003005372-A RADIATION SENSITIVE RESIN COMPOSITION JSR CORP 2003-01-08 JP disclosed