SCHEMBL7993735

SCHEMBL7993735

COC(=O)CC(Cc1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
CNR2 P34972 1/20 0.39
ACACB O00763 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
PRSS1 P07477 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
SCHEMBL27617788 0.82 MTNR1A (0.58) ALDH1A1F2F10RAB9A
SCHEMBL27535182 0.82 ESR1 (0.52) ESR1ESR2ALDH1A1MAPTCXCR1
SCHEMBL7259084 0.80 ESR1 (0.50) ESR1ESR2ALDH1A1
SCHEMBL25832024 0.80 ACACB (0.44) ALDH1A1CXCR1CXCR2PKML3MBTL1
SCHEMBL29174147 0.78 MAPT (0.46) ALDH1A1MAPTHTTPKML3MBTL1
SCHEMBL4856212 0.77 ACACB (0.42) ALDH1A1CXCR1CXCR2PKML3MBTL1
SCHEMBL10642651 0.77 ALDH1A1 (0.43) ALDH1A1MAPTHTTL3MBTL1ATM
SCHEMBL17875268 0.76 ACHE (0.61) ALDH1A1MAPTHTTL3MBTL1RAB9A
SCHEMBL28827835 0.76 MAPT (0.47) ALDH1A1MAPTHTTL3MBTL1RAB9A
SCHEMBL16442234 0.75 KMT2A (0.47) ALDH1A1ATM

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
US-6277984-B1 USE AS FLUORESCENT MARKERS; FOR IMPARTING FLUORESCENCE TO BIOLOGICAL AND NONBIOLOGICAL MATERIALS TODETECT VARIOUS BIOLOGICAL OR OTHER MATERIALS BY PROCEDURES SUCH AS FLUORESCENCE MICROSCOPY CARNEGIE MELLON UNIVERSITY 2001-08-21 US disclosed