SCHEMBL11273679

SCHEMBL11273679

Cc1ccc(C(=O)OCC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 11/20 1.00
MAPT P10636 4/20 0.76
ALDH1A1 P00352 2/20 0.76
HPGD P15428 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
ALOX5 P09917 1/20 0.58
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL83331 0.89 RAB9A (0.79) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL29043248 0.87 RAB9A (0.77) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL10438179 0.86 NPC1 (1.00) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL10144017 0.85 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL17703624 0.85 RAB9A (0.73) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL10033343 0.85 RAB9A (0.73) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL14722402 0.84 NPC1 (0.72) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL11759747 0.83 ESR2 (0.77) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL20443618 0.83 ESR2 (0.77) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL13310728 0.83 RAB9A (0.71) RAB9ANPC1MAPTALDH1A1HPGD

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-4338323-A Piperidylbenzimidazolinone derivatives SCIENCE UNION ET CIE (FR) 1982-07-06 US disclosed