SCHEMBL8405033

SCHEMBL8405033

Cc1cccc(CC(=O)OC(=O)Cc2cccc(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
NPC1 O15118 1/20 0.42
SLC7A5 Q01650 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPK8 P45983 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
SCHEMBL11553441 0.92 CTBP2 (0.56) CTBP2L3MBTL1POLBMAOBIDO1
SCHEMBL11553448 0.83 CTBP2 (0.51) CTBP2L3MBTL1POLBMAOBIDO1
SCHEMBL8405030 0.83 CTBP2 (0.55) CTBP2L3MBTL1POLBNPC1SMN1; SMN2
SCHEMBL10735 0.80
SCHEMBL1401401 0.80 L3MBTL1 (0.46) L3MBTL1MAOBNPC1SLC7A5SMN1; SMN2
SCHEMBL1107144 0.80 SLC7A5 (0.56) CTBP2L3MBTL1POLBMAOBIDO1
SCHEMBL7718934 0.80 SLC7A5 (0.60) NPC1SLC7A5SMN1; SMN2RAB9AALDH1A1
Ammonia Solution, Strong SCHEMBL28623820 0.78 TAAR1 (0.54) CTBP2POLBIDO1KMT2A
SCHEMBL25463180 0.78 CTBP2 (0.53) CTBP2L3MBTL1POLBMAOBIDO1
SCHEMBL1107143 0.78 KMT2A (0.56) CTBP2L3MBTL1POLBMAOBIDO1

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-5928912-A EFFICIENT BIOSYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed