SCHEMBL25486183

SCHEMBL25486183

C=CC(=O)OCCCCCCCCCCCOc1ccc(C#CC(=O)Oc2ccc(C3CCC(OCCCCCCCCCCCOC(=O)C=C)CC3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 5/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2C9 P11712 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR1 P21453 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL25486167 1.00 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486164 1.00 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486172 1.00 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486226 0.96 RAB9A (0.39) THRBTSHRRAB9AHPGD
SCHEMBL25486204 0.90 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486389 0.90 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486278 0.90 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486199 0.90 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL25486198 0.90 THRB (0.37) THRBCYP3A4TSHRALDH1A1HTT
SCHEMBL31077991 0.88 THRB (0.47) THRBCYP3A4TSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151275-A1 COMPOUND, COMPOSITION FOR ANISOTROPIC DYE FILMS INCLUDING THE COMPOUND, ANISOTROPIC DYE FILM, AND OPTICAL ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2023-05-18 US disclosed