SCHEMBL8965900

SCHEMBL8965900

C=C(C)COCCCC(O)COCC(=C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL8965464 0.88 KDM4E (0.31)
SCHEMBL11325874 0.84 USP2 (0.46) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL201963 0.81 KDM4E (0.34) USP2TDP1
SCHEMBL5958719 0.79 HSD17B10 (0.38) USP2HTTTDP1LPAR5
SCHEMBL347663 0.79 KDM4E (0.38)
SCHEMBL5534197 0.78 USP2 (0.58) USP2HTTCYP1A2CYP3A4CYP2C19
SCHEMBL20355691 0.78 TDP1 (0.37) LMNATDP1
SCHEMBL8966148 0.77
SCHEMBL7256155 0.76 CES2 (0.39) TDP1
SCHEMBL871697 0.76 CES2 (0.44) HTTTDP1

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed