SCHEMBL4654047

SCHEMBL4654047

CCC(CC(C)C)[C](C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ANPEP P15144 1/20 0.32
KISS1R Q969F8 3/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
BIRC2 Q13490 1/20 0.31
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL10496937 0.87 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL9587647 0.78 TDP1 (0.37) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL28183760 0.76 CA1 (0.34) ANPEPKISS1RSLC1A3SLC1A2CA1
SCHEMBL10496846 0.76 ANPEP (0.36) ALDH1A1ANPEPKISS1RSLC1A3SLC1A2
SCHEMBL25633077 0.73 ALDH1A1 (0.40) ALDH1A1TDP1KISS1RSLC1A3SLC1A2
SCHEMBL4652950 0.73
SCHEMBL10497042 0.73 CA2 (0.42) CA1CA2
SCHEMBL3657031 0.72 KISS1R (0.50) ALDH1A1TDP1KISS1RSLC1A3SLC1A2
SCHEMBL27642895 0.72 ANPEP (0.33) ANPEPKISS1RSLC1A3SLC1A2TSHR
SCHEMBL10482863 0.70 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2

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