SCHEMBL30505232

SCHEMBL30505232

CCOc1c(NC(=O)OC(C)(C)C)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
ABL1 P00519 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
RIN1 Q13671 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CASR P41180 1/20 0.41
HTT P42858 1/20 0.41
MITF O75030 1/20 0.41
MAPK8 P45983 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
SCHEMBL7607973 0.85 CASR (0.52) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL29702265 0.80 RXFP1 (0.55) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL222446 0.80 RXFP1 (0.55) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL5812852 0.79 KDM4E (0.51) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL3248129 0.79 NPC1 (0.54) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL6467966 0.79 GAA (0.46) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL29056994 0.78 ATR (0.41) MEN1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL14877164 0.78 RXFP1 (0.48) MEN1RAB9AKMT2ANPC1LMNA
SCHEMBL6183442 0.78 PDK1 (0.59) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL15440468 0.77 LMNA (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed