SCHEMBL8108816

SCHEMBL8108816

CCCCCCCCCCCCCCC(CCCO)C(=O)NCCNC(=O)C(CCCO)CCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
TSHR P16473 1/20 0.48
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
RRM1 P23921 1/20 0.46
DPP7 Q9UHL4 2/20 0.46
CA2 P00918 2/20 0.46
HDAC7 Q8WUI4 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
NAAA Q02083 1/20 0.44

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
SCHEMBL8108620 0.96 TSHR (0.48) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL8109149 0.93 USP2 (0.48) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL8109755 0.93 USP2 (0.48) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL29323027 0.91 GNAI3 (0.54) USP2GNAI3GNAO1GNAI1RRM1
SCHEMBL26313186 0.91 GNAI3 (0.54) USP2GNAI3GNAO1GNAI1RRM1
SCHEMBL24688329 0.91 CNR1 (0.50) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL2959461 0.91 CNR1 (0.50) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL2961362 0.91 CNR1 (0.50) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL1882497 0.91 CNR1 (0.50) USP2TSHRGNAI3GNAO1GNAI1
SCHEMBL25748452 0.91 CNR1 (0.50) USP2TSHRGNAI3GNAO1GNAI1

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
US-6060612-A SKIN CARE COSMETIC PACIFIC CORPORATION (KR) 2000-05-09 US disclosed