SCHEMBL8061900

SCHEMBL8061900

Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(C(C)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA2 P00918 3/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 4/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
ALOX12 P18054 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1151101 0.91 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10299517 0.90 CYP1A2 (0.57) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9319647 0.82 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30467047 0.80 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4450533 0.80 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL284652 0.80 CA2 (0.58) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL1597804 0.78 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30343456 0.78 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL502519 0.78 CA1 (0.52) CYP2C9CYP2C19CYP1A2ALDH1A1CA2
SCHEMBL11337464 0.77 CYP1A2 (0.40) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764878-B1 Photothermographic elements comprising hydroxamic acid developers IMATION CORP (US) 2000-05-24 EP claimed