SCHEMBL29956818

SCHEMBL29956818

O=Cc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
UNG P13051 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PIM1 P11309 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL943028 1.00 ALDH1A1 (0.47) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL2556513 0.85 KIF11 (0.54) ALDH1A1KDM4ERARBRARARARG
SCHEMBL1715824 0.84 ALDH1A1 (0.47) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL31749296 0.82 MAOB (0.43) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL15241305 0.82 MAOB (0.43) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL4092354 0.82 MCL1 (0.48) ALDH1A1KDM4EPIM1CES2CES1
SCHEMBL15653294 0.82 DGAT1 (0.56) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL1602589 0.82 ALDH1A1 (0.48) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL12319654 0.82 ALDH1A1 (0.42) ALDH1A1UNGSMN1; SMN2RAB9APTGS2
SCHEMBL15332919 0.81 TRIM24 (0.62) UNGRARBRARARARGTRIM24

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed