SCHEMBL22476044

SCHEMBL22476044

COc1ccc(C(C)(C)c2ccc(OC(C)(C)C)c(C)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NQO2 P16083 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
VDR P11473 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 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
SCHEMBL12677632 0.90 ESR1 (0.50) CYP19A1ESR1GAAACHEMAPT
SCHEMBL12736319 0.85 CYP19A1 (0.57) CYP19A1ESR1GAAACHEMAPT
SCHEMBL13997436 0.81 ESR1 (0.47) CYP19A1ESR1GAAKDM4EKMT2A
SCHEMBL12678047 0.81 VDR (0.40) ESR1KDM4EVDR
SCHEMBL16281937 0.80 KDM4E (0.51) ESR1GAAMAPTKDM4EALOX15
SCHEMBL18467873 0.80 ESR1 (0.71) CYP19A1ESR1ALOX15
SCHEMBL24610475 0.80 VDR (0.42) ESR1KDM4EVDR
SCHEMBL26302480 0.79 ESR1 (0.51) CYP19A1ESR1GAAMAPTKDM4E
SCHEMBL195044 0.78 KDM4E (0.53) CYP19A1GAAACHEMAPTKDM4E
SCHEMBL17029533 0.77 FFAR1 (0.41) CYP19A1ESR1GAAKDM4EKMT2A

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-4026866-A1 POLYCARBONATE RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-07-13 EP disclosed
EP-3355119-B1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS KYOCERA DOCUMENT SOLUTIONS INC (JP) 2020-09-30 EP disclosed