SCHEMBL27558706

SCHEMBL27558706

CN1C(C)(C)CC(C(CCC(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
FOLH1 Q04609 3/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL1019749 0.88 FFAR4 (0.41) TSHRNFKB1KDM4AKDM4CKDM2A
SCHEMBL11153675 0.81 TSHR (0.41) CYP2C19TSHRNFKB1CPN1CPB2
SCHEMBL15299924 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL818393 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL15707712 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL15300097 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL15299834 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL15299921 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL9655168 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2
SCHEMBL10423803 0.80 GPR84 (0.41) CYP2C19TSHRNFKB1GRIK1GRIK2

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
CN-1353738-A Stabilization of plastics and articles produced or coated therewith CLARIANT FINANCE BVI LTD (VG) 2002-06-12 CN disclosed