SCHEMBL29930486

SCHEMBL29930486

CC(C(=O)O)c1ccc(OCCc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PTGS2 P35354 2/20 0.41
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MET P08581 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL29930415 0.99 MCL1 (0.43) MCL1MTNR1AMTNR1BPTGS2MEN1
SCHEMBL29930767 0.80 FFAR1 (0.59)
SCHEMBL1720631 0.74 PPARG (0.63)
SCHEMBL1720625 0.74 PPARG (0.63)
SCHEMBL4673598 0.74 PPARG (0.39)
SCHEMBL21219184 0.72 PPARG (0.45)
SCHEMBL11197750 0.71 KIF11 (0.50) PTGS2MEN1KMT2AHTT
SCHEMBL573807 0.70 KDM4E (0.54) MEN1KMT2AHTT
SCHEMBL9632599 0.70 CPA3 (0.43) MEN1KMT2AHTT
SCHEMBL6302789 0.70 STAT3 (0.44) MEN1KMT2AHTTERAP1

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-112479977-B Substituted phenylpropionic acid compound enantiomer, and preparation method, composition and application thereof 深圳微芯生物科技股份有限公司 2022-07-19 CN disclosed