SCHEMBL11268066

SCHEMBL11268066

CCOC(=O)c1c(C)c(CC)n(C)c1C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL21408329 0.76 KMT2A (0.67) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10965792 0.74 KMT2A (0.44) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11095524 0.74 USP2 (0.49) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11087575 0.73 USP2 (0.41) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11090604 0.71 USP2 (0.39) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11090520 0.71 TSHR (0.47) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17965819 0.65 KMT2A (0.59) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23732222 0.65 KMT2A (0.38) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL69046 0.64 KMT2A (0.69) USP2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8581144 0.64 USP2 (0.44) USP2KMT2AMAPTSMN1; SMN2ALDH1A1

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-4333878-A MAKING 1,4-DIALKYLPYRROLE DIESTERS FROM 2-HYDROCARBOXY-1-NITROALKANE AND ENAMINE OF DIALKYL ACETONE DICARBOXYLATE ETHYL CORPORATION (US) 1982-06-08 US disclosed