SCHEMBL9682941

SCHEMBL9682941

CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.59
ESR2 Q92731 11/20 0.59
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
ESRRG P62508 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SHBG P04278 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.34

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
SCHEMBL9567886 0.80 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL3024282 0.80 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL7916588 0.78 ESR1 (0.61) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL7916602 0.77 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL9243349 0.77 ESR1 (0.70) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL10865394 0.77 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL9567870 0.76 ESR1 (0.63) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL8614758 0.76 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL5375638 0.76 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL27277 0.74 ESR1 (1.00) ESR1ESR2CYP3A4ALDH1A1TSHR

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-3243876-A1 POLYCARBONATE RESIN COMPOSITION FOR THIN OPTICAL COMPONENTS, AND THIN OPTICAL COMPONENT Mitsubishi Engineering-Plastics Corporation (JP) 2017-11-15 EP disclosed
EP-0469492-A2 Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties THE DOW CHEMICAL COMPANY (US) 1992-02-05 EP disclosed
EP-0299086-A1 DAMPING MATERIAL COMPOSITIONS AND DAMPING MATERIALS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-01-18 EP disclosed