SCHEMBL4457796

SCHEMBL4457796

Cc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.58
ESR2 Q92731 9/20 0.58
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
HSD17B10 Q99714 3/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL9757648 0.89 ESR2 (0.57) ESR1ESR2ALDH1A1CYP3A4HSD17B1
SCHEMBL4462245 0.86 ESR1 (0.54) ESR1ESR2ALDH1A1CYP3A4HSD17B10
SCHEMBL20880024 0.85 ESR1 (0.58) ESR1ESR2ALDH1A1CYP3A4HSD17B10
SCHEMBL29616024 0.84 ALOX15 (0.46) ESR1ESR2ALDH1A1CYP3A4HSD17B10
SCHEMBL440099 0.84 ALOX15 (0.46) ESR1ESR2ALDH1A1CYP3A4HSD17B10
SCHEMBL23469778 0.83 ESR1 (0.61) ESR1ESR2ALDH1A1CYP3A4HSD17B10
SCHEMBL1448894 0.83 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4HSD17B1
SCHEMBL29599541 0.83 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4HSD17B1
SCHEMBL4463362 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1CYP3A4HSD17B1
SCHEMBL4460177 0.79 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4HSD17B1

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-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 EP disclosed