SCHEMBL9871097

SCHEMBL9871097

COC(=O)CCN1C(C)(C)CC(c2ccc(C(=O)O)c(C(=O)O)c2C2CC(C)(C)N(CCC(=O)OC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 1/20 0.32
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9244707 0.85 NPC1 (0.30) NPC1
SCHEMBL3843743 0.82 UBE2M (0.35) CNR1CNR2
SCHEMBL9576869 0.80
SCHEMBL315384 0.79
SCHEMBL317241 0.79 GAA (0.34) KDM4EALDH1A1
SCHEMBL9374760 0.77 NPC1 (0.31) NPC1KDM4EALDH1A1
SCHEMBL11287699 0.77 ESR1 (0.33)
SCHEMBL9736787 0.76 TSHR (0.45) ALDH1A1
SCHEMBL17838616 0.76 GAA (0.32) KDM4EALDH1A1
SCHEMBL10579305 0.76

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-5015678-A Light stabilized polymers by the addition of N-hydoxyamines CIBA-GEIGY CORPORATION (US) 1991-05-14 US claimed