SCHEMBL7768598

SCHEMBL7768598

CC1(C)CC(C(CCC(=O)O)C(=O)O)CC(C)(C)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
FOLH1 Q04609 2/20 0.35
HTT P42858 1/20 0.35
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34
CPN1 P15169 2/20 0.34
CPB2 Q96IY4 2/20 0.34
GAA P10253 2/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33

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
SCHEMBL11294043 0.88 GSTK1 (0.39) HTTLMNAENPEP
SCHEMBL28164309 0.88 GSTK1 (0.39) HTTLMNAENPEP
SCHEMBL825542 0.88 GSTK1 (0.39) HTTLMNAENPEP
SCHEMBL6310021 0.88 GSTK1 (0.39) HTTLMNAENPEP
SCHEMBL669633 0.83 HTT (0.39) CYP1A2HTTCPN1CPB2GAA
SCHEMBL669634 0.83 HTT (0.39) CYP1A2HTTCPN1CPB2GAA
SCHEMBL9728579 0.82 GAA (0.43) HTTGAAGRIN1GRIN2B
SCHEMBL9407156 0.82 GSTK1 (0.35) HTTKDM4AKDM4CKDM2AGAA
SCHEMBL11862121 0.81 HTT (0.37) HTTCPN1CPB2GAAPOLB
SCHEMBL15299971 0.80 GPR84 (0.42) GRIK1GRIK2

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
EP-1110999-A2 Stabilizing mixtures for organic polymers Great Lakes Chemical (Europe) GmbH (CH) 2001-06-27 EP disclosed