SCHEMBL4655253

SCHEMBL4655253

CCCC(CC(C)(C)C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 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
SCHEMBL18459188 0.94 TSHR (0.33) TSHRTDP1CA12CA1CA2
SCHEMBL19287575 0.88 ALDH1A1 (0.33) TSHRTDP1
SCHEMBL1658193 0.84 LMNA (0.41) TSHR
SCHEMBL18231992 0.84 LMNA (0.41) TSHR
SCHEMBL18231991 0.84 LMNA (0.41) TSHR
SCHEMBL12819327 0.84 ALDH1A1 (0.41) TDP1CA12CA1CA2CA7
SCHEMBL4653028 0.82 ALDH1A1 (0.44) TSHRTDP1CA1CA2
SCHEMBL19230277 0.82
SCHEMBL15230422 0.82 TSHR (0.33) TSHR
SCHEMBL31050879 0.80 LMNA (0.48) TSHRTDP1CA2

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-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed