SCHEMBL11178334

SCHEMBL11178334

CC1(C)CC(C(CCCCCCCC(Cc2ccccc2)(C(=O)O)C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AMPD3 Q01432 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.34
EZH2 Q15910 3/20 0.34
SLC2A1 P11166 1/20 0.33
ALOX15 P16050 2/20 0.33
LTB4R Q15722 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 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
SCHEMBL11171792 0.98 GAA (0.40) AMPD3GAAHTTPOLBKMT2A
SCHEMBL11180230 0.87 AMPD3 (0.39) AMPD3KMT2AKDM4ETSHRARG1
SCHEMBL11168624 0.84 GAA (0.42) GAAHTTPOLBKMT2AKDM4E
SCHEMBL11170578 0.83 AMPD3 (0.39) AMPD3KMT2AKDM4ETSHRARG1
SCHEMBL7795986 0.81 ALDH1A1 (0.36) GAAHTTKMT2AKDM4ETSHR
SCHEMBL11170102 0.78 HTT (0.31) GAAHTT
SCHEMBL11455459 0.75 GAA (0.53) AMPD3GAAHTTPOLBKMT2A
SCHEMBL11187532 0.75 TEAD3 (0.36) AMPD3GAAKMT2AKDM4EALDH1A1
SCHEMBL11178331 0.72 GAA (0.49) AMPD3GAAHTTPOLBKMT2A
SCHEMBL7008212 0.72 MMP1 (0.47) GAAKMT2AARG1ARG2ALDH1A1

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-4369275-A PHOTOSTABILITY FOR POLYMERS CIBA-GEIGY AG (CH) 1983-01-18 US disclosed