SCHEMBL11118913

SCHEMBL11118913

O=C(O)O[C@H]1CC[C@H](CNCc2ccc(O)c(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 11/20 0.49
ERCC4 Q92889 11/20 0.49
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
GNAI1 P63096 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL11117449 0.82 ERCC1 (0.52) ERCC1ERCC4HDAC1MEN1KMT2A
SCHEMBL11117447 0.82 ERCC1 (0.52) ERCC1ERCC4HDAC1MEN1KMT2A
SCHEMBL11023693 0.78 MAPK14 (0.47) HDAC1MEN1KMT2AHDAC6
SCHEMBL11116357 0.77 MEN1 (0.49) MEN1KMT2AKDM4ETSHRHIF1A
SCHEMBL140023 0.73 ERCC1 (0.57) ERCC1ERCC4HDAC1GAAHDAC6
SCHEMBL107184 0.73 ERCC1 (0.57) ERCC1ERCC4HDAC1GAAHDAC6
SCHEMBL4023168 0.73 ERCC1 (0.57) ERCC1ERCC4HDAC1GAAHDAC6
SCHEMBL7279244 0.70 ADRB2 (0.67) ERCC1ERCC4MEN1KMT2AKDM4E
SCHEMBL107957 0.69 ARG1 (0.63) ERCC1ERCC4MEN1KMT2AKDM4E
Bromide SCHEMBL10436176 0.69 ADRB2 (0.65) ERCC1ERCC4MEN1KMT2AKDM4E

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-0080334-B1 4-(N-(HYDROXYBENZYL)AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACIDS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 EP claimed