SCHEMBL29394473

SCHEMBL29394473

CC(C)(C)OC(=O)Nc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
NAMPT P43490 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
METAP1 P53582 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14622117 0.93 LCK (0.43) LCKSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL304517 0.91 KCNH2 (0.48) LCKSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL31151002 0.90 RAB9A (0.62) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL22523913 0.90 LCK (0.43) LCKMEN1KMT2ARAB9ANPC1
SCHEMBL533505 0.90 RAB9A (0.62) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL29510654 0.90 ALDH1A1 (0.51) LCKSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1712579 0.90 ALDH1A1 (0.51) LCKSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL305206 0.89 SMN1; SMN2 (0.45) LCKSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL31009974 0.89 LCK (0.42) LCKMEN1KMT2ARAB9ANPC1
SCHEMBL12710236 0.89 LCK (0.42) LCKMEN1KMT2ARAB9ANPC1

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-114058383-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer, and compound JSR株式会社 2022-02-18 CN disclosed