SCHEMBL9599372

SCHEMBL9599372

O=C1c2ccc(O)cc2C(=O)N1c1cccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.65
ESR1 P03372 6/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
ESR2 Q92731 2/20 0.52
LPAR1 Q92633 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
LPAR3 Q9UBY5 1/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.49
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL24149295 0.81 MEN1 (0.74) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL9632412 0.80 ESR1 (0.75) BRD4ESR1ESR2POLBANPEP
SCHEMBL10451404 0.80 HTT (0.51) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL9631792 0.79 ESR1 (0.77) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL14005764 0.79 HTT (0.60) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL20081123 0.78 BRD4 (0.86) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL31012107 0.77 ESR1 (0.90) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL9630819 0.77 ESR1 (0.90) BRD4ESR1MEN1KMT2AALDH1A1
SCHEMBL17281689 0.77 BRD4 (0.56) BRD4ESR1MEN1KMT2AMAPT
SCHEMBL10641093 0.76 BRD4 (0.65) BRD4ESR1MEN1KMT2AALDH1A1

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-5246751-A Poly(hydroxy ether imides) as barrier packaging materials THE DOW CHEMICAL COMPANY (US) 1993-09-21 US disclosed