SCHEMBL8108620

SCHEMBL8108620

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
USP2 O75604 2/20 0.48
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RRM1 P23921 1/20 0.46
DPP7 Q9UHL4 2/20 0.46
CA2 P00918 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL8108816 0.96 USP2 (0.48) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL29323027 0.95 GNAI3 (0.54) USP2GNAI3GNAO1GNAI1RRM1
SCHEMBL26313186 0.95 GNAI3 (0.54) USP2GNAI3GNAO1GNAI1RRM1
SCHEMBL25499104 0.93 DPP7 (0.56) USP2GNAI3GNAO1GNAI1RRM1
SCHEMBL8109755 0.93 USP2 (0.48) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL8109149 0.93 USP2 (0.48) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL24688329 0.91 CNR1 (0.50) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL2959461 0.91 CNR1 (0.50) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL2961362 0.91 CNR1 (0.50) TSHRUSP2GNAI3GNAO1GNAI1
SCHEMBL1882497 0.91 CNR1 (0.50) TSHRUSP2GNAI3GNAO1GNAI1

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