SCHEMBL4020288

SCHEMBL4020288

O=CC(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.53
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.41
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
NFE2L2 Q16236 1/20 0.40
GAA P10253 1/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
RPS6KA5 O75582 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
SCHEMBL863162 0.89 KDM4E (0.44) KCNN4ALDH1A1KMT2ANPSR1CYP3A4
SCHEMBL11623660 0.82 KCNN4 (0.47) KCNN4KCNE1KCNQ1SMN1; SMN2L3MBTL1
SCHEMBL6631834 0.82 SMN1; SMN2 (0.42) KCNN4SMN1; SMN2L3MBTL1MEN1ALDH1A1
SCHEMBL15419956 0.81 ESR2 (0.54) ALDH1A1LMNAKIF11CYP3A4
SCHEMBL28197407 0.81 CYP1A2 (0.40) KCNN4ALDH1A1KMT2ANPSR1NFE2L2
SCHEMBL10767261 0.80 USP2 (0.66) KCNN4L3MBTL1MEN1KMT2AKIF11
SCHEMBL10839093 0.79 MEN1 (0.49) SMN1; SMN2L3MBTL1HTTMEN1ALDH1A1
SCHEMBL811710 0.79 KMT2A (0.45) SMN1; SMN2L3MBTL1HTTMEN1ALDH1A1
SCHEMBL6629671 0.79 KIF11 (0.41) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL811207 0.79 KCNN4 (0.50) KCNN4KCNE1KCNQ1L3MBTL1KIF11

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
WO-2009084827-A2 SYNTHETIC INTERMEDIATES, PROCESS FOR PREPARING PYRROLYLHEPTANOIC ACID DERIVATIVES THEREFROM DONG-A PHARM.CO., LTD. (KR) 2009-07-09 WO disclosed