SCHEMBL7785544

SCHEMBL7785544

CC(CCOc1ccc(O)cc1)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
NR5A1 Q13285 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
EPHX2 P34913 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP19A1 P11511 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
SCHEMBL11231682 0.86 LTA4H (0.55) LTA4HNR5A1TDP1MAPK1ESR1
SCHEMBL25165708 0.85 DRD2 (0.43) TDP1MAPK1GAAEPHX2
SCHEMBL10427933 0.84 PPARG (0.41) LTA4HTDP1MAPK1EPHX2
SCHEMBL11330774 0.83 TDP1 (0.64) LTA4HTDP1MAPK1GAAEPHX2
SCHEMBL29690167 0.83 KCNA3 (0.47) LTA4HTDP1MAPK1
SCHEMBL6363526 0.82 ADRB2 (0.40) TDP1MAPK1EGFRGAAEPHX2
SCHEMBL21400316 0.82 PPARA (0.43) TDP1MAPK1
SCHEMBL9058674 0.81 MAPK1 (0.68) MAPK1
SCHEMBL24626627 0.81 LTA4H (0.55) LTA4HNR5A1TDP1MAPK1ESR1
SCHEMBL7837903 0.81 TDP1 (0.40) LTA4HTDP1MAPK1EPHX2

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-0873881-B1 Reversible thermochromic compositions PILOT INK CO LTD (JP) 2001-10-17 EP disclosed
US-5919404-A MIXTURE OF COLOR DEVELOPING COMPOUND AND ELECTRON ACCEPTORALKOXYPHENOL COMPOUND THE PILOT INK CO., LTD. (JP) 1999-07-06 US disclosed
EP-0873881-A1 Reversible thermochromic compositions The Pilot Ink CO., Ltd. (JP) 1998-10-28 EP disclosed