SCHEMBL11739986

SCHEMBL11739986

COc1cc(OC)c2cc(C(=O)O)oc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
GPR35 Q9HC97 4/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PTGER4 P35408 2/20 0.40
MAPT P10636 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
SCHEMBL11746767 0.84 CA12 (0.54) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL18384672 0.80 PDE4A (0.55) PIM1HSD17B10TDP1KMT2AMEN1
SCHEMBL10801943 0.76 PIM1 (0.56) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL11746683 0.75 ALDH1A1 (0.47) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL11741049 0.74 ALDH1A1 (0.47) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL11745737 0.74 PDE4A (0.50) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL4093886 0.73 PIM1 (0.46) PIM1HSD17B10TDP1ALDH1A1KDM4E
SCHEMBL17864632 0.73 MCL1 (0.46) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL11296017 0.72 HSD17B10 (0.54) PIM1L3MBTL1HSD17B10POLBTDP1
SCHEMBL3608940 0.71 EDNRA (0.55) PIM1L3MBTL1HSD17B10PKMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed