SCHEMBL9840266

SCHEMBL9840266

CC(Sc1ccc(O)cc1)C(=O)C(C)Sc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
PDCD1 Q15116 1/20 0.39
ESR2 Q92731 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10455022 0.85 KDM4E (0.47) NR1H2HPGDTSHREPHX1LMNA
SCHEMBL10455020 0.85 KDM4E (0.47) NR1H2HPGDTSHREPHX1LMNA
SCHEMBL6663908 0.77 CA12 (0.49) HPGDTSHRCA1CA2CA12
SCHEMBL16752107 0.77 ADORA2A (0.48) EPHX1LMNAHSD17B10CYP2D6CYP2C9
SCHEMBL3724500 0.77 NR1H2 (0.50) NR1H2HPGDTSHRCA1CA2
SCHEMBL10338884 0.77 NR1H2 (0.50) NR1H2HPGDTSHRCA1CA2
SCHEMBL9808114 0.74 HSP90AA1 (0.40) NR1H2HPGDTSHREPHX1CA1
SCHEMBL10633915 0.71 ESR1 (0.52) NR1H2HPGDCA1CA2CA12
SCHEMBL1727364 0.71 NR1H2 (0.44) NR1H2HPGDCA1CA2CA12
SCHEMBL3234308 0.71 ESR1 (0.52) NR1H2HPGDCA1CA2CA12

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
US-4981970-A LEUCO DYES, RECORDING RICOH COMPANY, LTD. (JP) 1991-01-01 US disclosed
US-4940691-A Coloring phthalide compounds and recording materials using the compounds as coloring component RICOH COMPANY, LTD. (JP) 1990-07-10 US disclosed
US-4880762-A OPTICAL RECORDING MEDIA RICOH COMPANY, LTD. (JP) 1989-11-14 US disclosed