SCHEMBL8666453

SCHEMBL8666453

O=C(O)c1ccc2cc(C(=O)O)ccc2c1.O=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MAPT P10636 7/20 0.64
MEN1 O00255 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
PARP10 Q53GL7 1/20 0.59
NSD2 O96028 1/20 0.54
AKR1C3 P42330 1/20 0.53
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
TMPRSS15 P98073 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALOX5 P09917 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL29637878 0.95 MAPT (0.57) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL10960357 0.95 MAPT (0.57) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL10778099 0.91 KMT2A (0.77) KMT2AMAPTMEN1TDP1PARP10
Isophthalic Acid SCHEMBL2889737 0.91 PARP10 (0.61) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL69953 0.89 MAPT (0.62) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL817796 0.87 PARP10 (0.63) KMT2AMAPTMEN1TDP1PARP10
Benzoic Acid SCHEMBL28161687 0.87 PARP10 (0.63) KMT2AMAPTMEN1TDP1PARP10
Terephthalic Acid SCHEMBL28437942 0.87 PARP10 (0.63) KMT2AMAPTMEN1TDP1PARP10
Benzoic Acid SCHEMBL28346471 0.87 PARP10 (0.63) KMT2AMAPTMEN1TDP1PARP10
Terephthalic Acid SCHEMBL6660728 0.86 AKR1C3 (0.58) KMT2AMAPTMEN1TDP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425704-B2 MANUFACTURE OF DRAWN/IRONED CAN TOYO SEIKAN KAISHA LTD (JP) 1998-12-16 EP disclosed
US-5213903-A Corrosion resistance cans TOYO KOHAN CO., LTD. (JP) 1993-05-25 US disclosed
US-5179854-A PROCESS FOR PRODUCTION OF DRAW-IRONED CAN Toy Seikan Kaisha Ltd. (JP) 1993-01-19 US disclosed
EP-0425704-A1 MANUFACTURE OF DRAWN/IRONED CAN TOYO SEIKAN KAISHA, LTD. (JP) 1991-05-08 EP disclosed