SCHEMBL7003172

SCHEMBL7003172

[CH]=Cc1ccc(OC)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.70
CYP1A1 P04798 14/20 0.70
CYP1B1 Q16678 14/20 0.70
ALDH1A1 P00352 3/20 0.66
NFE2L2 Q16236 2/20 0.61
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2E1 P05181 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP4B1 P13584 1/20 0.58
CYP2B6 P20813 1/20 0.58
CYP3A5 P20815 1/20 0.58
CYP2A7 P20853 1/20 0.58
CYP3A7 P24462 1/20 0.58

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
SCHEMBL9113375 0.83 CYP1A1 (0.61) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL3785302 0.83 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL25706432 0.83 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL145083 0.83 CYP1A2 (0.76) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL1547597 0.81 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL96291 0.79 ALDH1A1 (1.00) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL11108516 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL30411244 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL26924044 0.79 CYP1A2 (0.84) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL9545111 0.79 CYP1A2 (0.70) CYP1A2CYP1A1CYP1B1ALDH1A1NFE2L2

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-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP disclosed
EP-0320742-B1 Process for the after-treatment of developed flexographic printing platens DU PONT (US) 1995-04-05 EP disclosed
US-4906551-A Process for the post-treatment of developed relief printing forms for use in flexographic printing HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
EP-0320742-A2 Process for the after-treatment of developed flexographic printing platens E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP disclosed