SCHEMBL10872762

SCHEMBL10872762

CC(C)(C)CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cc(O)cc(C(C)(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.75
GABRA1 P14867 1/20 0.57
GABRB2 P47870 1/20 0.57
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
ESR1 P03372 8/20 0.47
ESR2 Q92731 6/20 0.47
CYP3A4 P08684 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ESRRG P62508 3/20 0.42
AR P10275 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
HTR6 P50406 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL7063934 0.89 SHBG (0.88) SHBGLMNATYRESR1ESR2
SCHEMBL31282065 0.87 SHBG (1.00) SHBGLMNATYRESR1ESR2
SCHEMBL10141 0.87 SHBG (1.00) SHBGLMNATYRESR1ESR2
Hydrogen Sulfide SCHEMBL10824257 0.85 SHBG (0.95) SHBGLMNATYRESR1ESR2
SCHEMBL22773183 0.85 SHBG (0.95) SHBGLMNATYRESR1ESR2
SCHEMBL10785821 0.85 SHBG (0.95) SHBGLMNATYRESR1ESR2
SCHEMBL28041281 0.85 SHBG (0.95) SHBGLMNATYRESR1ESR2
Formaldehyde SCHEMBL28351070 0.84 SHBG (0.78) SHBGLMNATYRESR1ESR2
Benzene SCHEMBL29025935 0.83 SHBG (0.91) SHBGLMNATYRESR1ESR2
Ethylene SCHEMBL8593493 0.83 SHBG (0.91) SHBGLMNATYRESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4311838-A1 CARBOXY-TERMINATED POLYCARBONATE AND METHOD FOR PRODUCING THE SAME Covestro Deutschland AG (DE) 2024-01-31 EP disclosed
EP-0193121-A2 Thermoplastic moulding compositions containing polysiloxane-polycarbonate block copolymers BAYER AG (DE) 1986-09-03 EP disclosed