SCHEMBL1702632

SCHEMBL1702632

[O]C(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL4443007 0.90 SLC6A2 (0.40) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL341578 0.86 PTGDR2 (0.50) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28794360 0.86 PTGDR2 (0.50) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL50486 0.85 PTGDR2 (0.53) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30730923 0.85 PTGDR2 (0.53) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
Bicarbonate SCHEMBL11642792 0.85 PTGDR2 (0.49) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4742961 0.84 PTGDR2 (0.47) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
Bicarbonate SCHEMBL27568235 0.84 PTGDR2 (0.59) PTGDR2RAB9AKDM4EALDH1A1HPGD
SCHEMBL1515853 0.83 PTGDR2 (0.47) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5607152 0.83 PTGDR2 (0.51) PTGDR2CYP2D6SLC6A2SLC6A4SLC6A3

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
EP-2192611-B9 WAFER PROCESSING TAPE FURUKAWA ELECTRIC CO LTD (JP) 2012-08-15 EP disclosed
EP-2192611-B1 WAFER PROCESSING TAPE FURUKAWA ELECTRIC CO LTD (JP) 2012-04-18 EP disclosed