SCHEMBL22003017

SCHEMBL22003017

CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(OC(=O)Oc3ccccc3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.67
ESR2 Q92731 1/20 0.67
GAA P10253 4/20 0.37
MAPT P10636 3/20 0.37
XBP1 P17861 1/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
P4HB P07237 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5AP P20292 2/20 0.34
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
LTA4H P09960 1/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL22003013 1.00 ESR1 (0.67) ESR1ESR2GAAMAPTXBP1
SCHEMBL22003015 0.95 ESR1 (0.74) ESR1ESR2GAAMAPTXBP1
SCHEMBL22003016 0.95 ESR1 (0.57) ESR1ESR2GAAMAPTALDH1A1
SCHEMBL16395145 0.95 ESR1 (0.57) ESR1ESR2GAAMAPTALDH1A1
SCHEMBL23969898 0.91 ESR1 (0.52) ESR1ESR2GAAMAPTALDH1A1
SCHEMBL28373556 0.89 ESR1 (0.55) ESR1ESR2GAAMAPTXBP1
SCHEMBL3892405 0.89 ESR1 (0.72) ESR1ESR2GAAMAPTXBP1
SCHEMBL12590933 0.88 ESR1 (0.50) ESR1ESR2GAAMAPTALDH1A1
SCHEMBL23734759 0.88 ESR1 (0.67) ESR1ESR2GAAMAPTXBP1
Bicarbonate SCHEMBL5398499 0.88 ESR1 (0.70) ESR1ESR2GAAMAPTXBP1

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-3388468-B1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL IND (JP) 2021-11-03 EP disclosed
US-10655010-B2 Aromatic polycarbonate oligomer solid HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-05-19 US disclosed