SCHEMBL29933509

SCHEMBL29933509

Cc1ccc2c(C(=O)O)coc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ CSNK2A1 P68400 2/20 0.47
▸ MAOB P27338 7/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 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
SCHEMBL18530849 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALOX15CSNK2A1MAOB
SCHEMBL11508309 0.88 MAOB (0.61) SMN1; SMN2MAPTALOX15MAOBCA12
SCHEMBL10898831 0.86 MAOB (0.56) SMN1; SMN2MAPTALOX15CSNK2A1MAOB
SCHEMBL29933496 0.86 MAOB (0.56) SMN1; SMN2MAPTALOX15CSNK2A1MAOB
SCHEMBL15447330 0.81 MAPT (0.53) SMN1; SMN2MAPTALOX15MAOBNPC1
SCHEMBL204082 0.80 PIM1 (0.54) SMN1; SMN2MAPTMAOBCA12CA1
SCHEMBL23359886 0.79 KEAP1 (0.46) SMN1; SMN2CSNK2A1MAOBCA1CA2
SCHEMBL31704456 0.79 KDM4E (0.50) MAPTALOX15CSNK2A1MAOBNPC1
SCHEMBL23320560 0.79 KDM4E (0.50) MAPTALOX15CSNK2A1MAOBNPC1
SCHEMBL11513004 0.78 MAOB (0.67) SMN1; SMN2MAPTMAOBNPC1KMT2A

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
EP-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 — — EP disclosed
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