SCHEMBL8777727

SCHEMBL8777727

Cc1c(O)cc(C(C)(C)C)cc1CCC(c1cc(C(C)(C)C)cc(O)c1C)c1cc(C(C)(C)C)cc(O)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP2C9 P11712 4/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HIF1A Q16665 1/20 0.32
HTR1D P28221 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL4418418 0.84 CYP2C19 (0.41) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL8443342 0.83 CYP2C19 (0.54) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL29666957 0.78 CYP2C9 (0.36) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL10610394 0.78 ACHE (0.43) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL29373419 0.75 RORC (0.38) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL3083256 0.75 RORC (0.38) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL6673984 0.74 TYR (0.43) CYP2C19CYP2D6ALOX15TP53CYP3A4
SCHEMBL9744092 0.70 GABRA1 (0.55) CYP2C19CYP2D6CYP2C9ALOX15TP53
SCHEMBL11117747 0.69 CYP2C19 (0.68) CYP2C19CYP2D6CYP2C9ALOX15CYP1A2
Phosphoric Acid SCHEMBL27612066 0.69 TYR (0.38) CYP2C19ALOX15TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587139-B1 Heat-sensitive recording sheet MITSUBISHI PAPER MILLS LTD (JP) 1997-12-29 EP disclosed
US-5427996-A Protective surface layer composed of latex; chemical, water resistant, storage stability MITSUBISHI PAPER MILLS LIMITED (JP) 1995-06-27 US disclosed
EP-0587139-A2 Heat-sensitive recording sheet MITSUBISHI PAPER MILLS, LTD. (JP) 1994-03-16 EP disclosed