SCHEMBL23448982

SCHEMBL23448982

C=CC(=O)OCCNC(=C)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9563945 0.85 SMN1; SMN2 (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22648037 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23448985 0.83 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608267 0.80 HCAR2 (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608273 0.79 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12215229 0.78 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9563959 0.78 SMN1; SMN2 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23225387 0.78 SMN1; SMN2 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24822764 0.78 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2721018 0.75 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A

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
WO-2021108204-A1 AROMATIC SUBSTITUTED ETHANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed
WO-2021108191-A1 AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed