SCHEMBL13286258

SCHEMBL13286258

COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
SRD5A2 P31213 1/20 0.34
PDPK1 O15530 1/20 0.34
P2RX3 P56373 1/20 0.34
HSD17B1 P14061 1/20 0.33
FFAR1 O14842 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL792258 0.88 L3MBTL1 (0.41) ALDH1A1PDE4DFFAR1
SCHEMBL13286249 0.82 CHEK2 (0.39)
SCHEMBL13285967 0.80 ROCK2 (0.40) ALDH1A1
SCHEMBL13286176 0.80 PLK1 (0.39) HSD17B1
SCHEMBL13285969 0.79 ROCK2 (0.36) ALDH1A1EGFR
SCHEMBL13286175 0.78 HSP90AA1 (0.48) ALDH1A1
SCHEMBL13285984 0.78 CA12 (0.39) EGFR
SCHEMBL13286262 0.77 PDK2 (0.40) SRD5A2HSD17B1
SCHEMBL13286177 0.77 HPGD (0.44) ALDH1A1
SCHEMBL13285889 0.76 KMT2A (0.48) ALDH1A1

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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed