SCHEMBL8554726

SCHEMBL8554726

CCCCCCCCCCCCCOC(=O)n1c(-c2nc3cc(C)c(C)cc3n2C(=O)OCCCCCCCCCCCCC)nc2cc(C)c(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
KMT2A Q03164 4/20 0.39
TSHR P16473 3/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL8555403 0.86 KMT2A (0.37) ESR1KMT2ATSHRRAB9AMEN1
SCHEMBL10515420 0.82 TSHR (0.57) KMT2ATSHRRAB9AMEN1MAPT
SCHEMBL8598151 0.77 TLR8 (0.45) ESR1KMT2ATSHRRAB9AMEN1
SCHEMBL8598155 0.75 TSHR (0.48) KMT2ATSHRRAB9AMEN1MAPT
SCHEMBL5970046 0.69 TSHR (0.58) KMT2ATSHRRAB9AMEN1MAPT
SCHEMBL3649939 0.69 TSHR (0.41) ESR1KMT2ATSHRRAB9AMEN1
SCHEMBL10513445 0.68 TSHR (0.47) KMT2ATSHRRAB9AMEN1MAPT
SCHEMBL10513278 0.68 TSHR (0.47) KMT2ATSHRRAB9AMEN1MAPT
SCHEMBL10516104 0.65 TSHR (0.43) ESR1TSHRRAB9AMAPTKDM4E
SCHEMBL11881207 0.62 NAAA (0.50) ESR1TSHRRAB9AMAPTAKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513966-B1 Bis-bibenzimidazole composition ZENECA LTD (GB) 1998-04-29 EP claimed
US-5258524-A Solvent extraction of zinc IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US claimed
EP-0513966-A2 Bis-bibenzimidazole composition ZENECA LIMITED (GB) 1992-11-19 EP claimed
EP-0513966-B1 Bis-bibenzimidazole composition ZENECA LTD (GB) 1998-04-29 EP disclosed
US-5258524-A Solvent extraction of zinc IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
EP-0513966-A2 Bis-bibenzimidazole composition ZENECA LIMITED (GB) 1992-11-19 EP disclosed