SCHEMBL9815480

SCHEMBL9815480

c1ccc(C(COc2ccc(OCC(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
CA7 P43166 1/20 0.67
SCN4A P35499 4/20 0.59
LMNA P02545 1/20 0.50
FFAR1 O14842 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.45
PTGS1 P23219 1/20 0.45
KCNA3 P22001 1/20 0.44
HTR2A P28223 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL6566065 0.95 SCN4A (0.65) CA12CA1CA2CA9CA7
SCHEMBL28827434 0.89 CA12 (0.57) CA12CA1CA2CA9CA7
SCHEMBL29721331 0.89 CA12 (0.57) CA12CA1CA2CA9CA7
SCHEMBL7312560 0.86 CA12 (0.54) CA12CA1CA2CA9CA7
SCHEMBL11381571 0.85 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL7321136 0.84 PKM (0.62) CA12CA1CA2CA9CA7
SCHEMBL28788671 0.84 CA12 (0.57) CA12CA1CA2CA9CA7
SCHEMBL5200152 0.84 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL5134624 0.83 SCN4A (0.53) CA12CA1CA2CA9CA7
SCHEMBL11365156 0.82 CA12 (0.54) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260300-B1 PROCESS FOR THE PREPARATION OF STYRENATED HYDROQUINONE Montedison S.p.A. (IT) 1991-10-30 EP claimed
US-4661645-A VACUUM DISTILLING STYRENE, HYDROQUINONE PRODUCT OWENS-CORNING FIBERGLAS CORPORATION (US) 1987-04-28 US claimed