SCHEMBL3436084

SCHEMBL3436084

C=CCOc1cccc(C(=O)O)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.51
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 5/20 0.48
HTT P42858 2/20 0.45
PARP1 P09874 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 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
SCHEMBL3435885 0.91 KDM4E (0.54) LIG1TSHRGAAKDM4EHTT
SCHEMBL3434403 0.89 LIG1 (0.55) LIG1TSHRGAAKDM4EHTT
SCHEMBL5228094 0.85 LIG1 (0.51) LIG1TSHRGAAKDM4EHTT
SCHEMBL20423469 0.82 LIG1 (0.54) LIG1TSHRGAAKDM4EHTT
SCHEMBL30367092 0.82 LIG1 (0.54) LIG1TSHRGAAKDM4EHTT
SCHEMBL29519569 0.81 LIG1 (0.69) LIG1TSHRGAAKDM4EHTT
SCHEMBL40310 0.81 LIG1 (0.69) LIG1TSHRGAAKDM4EHTT
SCHEMBL9774243 0.80 LIG1 (0.55) LIG1TSHRGAAKDM4EHTT
SCHEMBL3798396 0.80 KDM4E (0.71) LIG1TSHRGAAKDM4EHTT
SCHEMBL7794511 0.80 LIG1 (0.67) LIG1TSHRGAAKDM4EHTT

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-8361218-B2 Coloring composition, method for production thereof, and coloring method Dainischiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2013-01-29 US disclosed
US-20100291359-A1 Coloring composition, method for production thereof, and coloring method DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 US disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 EP disclosed