SCHEMBL20333554

SCHEMBL20333554

CC1(C)CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
APOBEC3A P31941 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL2278775 0.89 GAA (0.49) GAATHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10074441 0.84 HDAC1 (0.62) GAATHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20333157 0.83 MEN1 (0.60) GAASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL20333556 0.81 CHRM2 (0.56) ALDH1A1MEN1USP2KMT2AHIF1A
SCHEMBL20828408 0.81 HDAC1 (0.62) GAATHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2787677 0.81 HDAC1 (0.67) ALDH1A1KDM4EHIF1AL3MBTL1CYP2D6
SCHEMBL22628928 0.81 CYP2D6 (0.50) GAATHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20333557 0.81 CYP2D6 (0.45) GAATHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20333553 0.80 CHRM2 (0.51) GAATHRBSMN1; SMN2ALDH1A1MEN1
SCHEMBL3013154 0.80 ALDH1A1 (0.61) GAATHRBSMN1; SMN2ALDH1A1KDM4E

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
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 WO disclosed