SCHEMBL7867600

SCHEMBL7867600

c1ccc(-c2ccc(C(OC(c3ccc(-c4ccccc4)cc3)C3CO3)C3CO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
FFAR1 O14842 1/20 0.36
IDO1 P14902 2/20 0.35
ACP3 P15309 2/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.34
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL151181 0.88 IDO1 (0.44) EPHX1IDO1
SCHEMBL3687682 0.88 IDO1 (0.44) EPHX1IDO1
SCHEMBL28635190 0.82 LTA4H (0.41)
SCHEMBL8847061 0.81 MGLL (0.42) MGLL
Ethylene Glycol SCHEMBL8153345 0.80 CHRM2 (0.38) IDO1
SCHEMBL27919012 0.79 TAAR1 (0.39) PTGS2
SCHEMBL8847334 0.78 KMT2A (0.49) CYP3A4ALDH1A1
SCHEMBL14889775 0.77 ESR1 (0.37) IDO1CYP3A4
SCHEMBL7227399 0.77 IDO1 (0.38) IDO1
SCHEMBL10488435 0.77 CYP2A6 (0.32)

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-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
WO-2023083782-A1 EPOXY RESIN COMPOSITIONS FOR PRODUCING STORAGE-STABLE COMPOSITES EVONIK OPERATIONS GMBH (DE) 2023-05-19 WO disclosed
US-20010055461-A1 METHOD FOR PRODUCING AN OPTICAL WAVEGUIDE NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 2001-12-27 US disclosed
EP-0943935-A2 Optical waveguide and method for production thereof Nippon Telegraph and Telephone Corporation (JP) 1999-09-22 EP disclosed