SCHEMBL13359115

SCHEMBL13359115

CCC[C@@H](C)c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RIPK1 Q13546 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ACACB O00763 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL10274464 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3RIPK1CYP1A2
SCHEMBL19361123 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3RIPK1CYP1A2
SCHEMBL9746668 0.88 RIPK1 (0.43) RIPK1ESR1ESR2TAAR1
SCHEMBL9015763 0.84 SLC2A1 (0.39)
SCHEMBL3455850 0.81 ALDH1A1 (0.44) CYP1A2CYP2D6
SCHEMBL13049653 0.81 ALDH1A1 (0.44) CYP1A2CYP2D6
SCHEMBL11570597 0.80 TRPA1 (0.46) RIPK1CYP1A2CYP2D6APEX1PMP22
SCHEMBL27146447 0.80 TAAR1 (0.40) RIPK1CYP1A2CYP2D6APEX1PMP22
SCHEMBL11655780 0.80 RIPK1 (0.35) RIPK1CYP1A2CYP2D6APEX1PMP22
SCHEMBL10446001 0.79 CA12 (0.47) SLC6A2SLC6A4SLC6A3RIPK1CA2

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
EP-1296190-B1 Positive resist composition FUJIFILM CORP (JP) 2010-05-05 EP disclosed