SCHEMBL11570598

SCHEMBL11570598

CC(=O)Nc1ccc(Cl)c(NCC(COc2ccccc2)OC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ RORC P51449 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 3/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL9620020 0.86 MAPT (0.69) MAPTNPC1MEN1KMT2AHTT
SCHEMBL11574421 0.85 TDP1 (0.51) MAPTNPC1KMT2AMAPK1POLB
SCHEMBL11568718 0.84 NPC1 (0.48) MAPTNPC1POLBRAB9ATHRB
SCHEMBL11725068 0.75 TP53 (0.46) MAPT
Water SCHEMBL11565814 0.74 MAPT (0.50) MAPTMEN1KMT2AHTTPOLB
SCHEMBL11574037 0.73 ALDH1A1 (0.52) MAPTNPC1MEN1KMT2APOLB
SCHEMBL11574023 0.73 NPC1 (0.46) NPC1POLBRAB9ATHRBMTNR1A
SCHEMBL11209876 0.73 RORC (0.49) RORCMEN1KMT2AMAPK1POLB
SCHEMBL11465129 0.72 MAPT (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3364884 0.72 POLB (0.60) MAPTKMT2APOLBTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152114-A POLYESTERS CIBA-GEIGY AG (CH) 1979-05-01 — — US disclosed
US-4099909-A POLYESTERS CIBA-GEIGY AG (CH) 1978-07-11 — — US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 — — US disclosed
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