SCHEMBL22648012

SCHEMBL22648012

C=CC(=O)OCCNC(=O)OCCO[C@@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL11920490 1.00 ACHE (0.41) ACHETSHRHPGDALDH1A1TP53
SCHEMBL11920459 0.92 TSHR (0.46) ACHETSHRHPGDALDH1A1CYP3A4
SCHEMBL11920464 0.92 ACHE (0.46) ACHETSHRHPGDALDH1A1TP53
SCHEMBL22340414 0.87 TSHR (0.44) ACHETSHRHPGDALDH1A1TP53
SCHEMBL3821048 0.87 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13346929 0.86 ACHE (0.48) ACHETSHRHPGDALDH1A1CYP3A4
SCHEMBL24212798 0.84 TSHR (0.42) ACHETSHRHPGDALDH1A1TP53
SCHEMBL10033496 0.84 ACHE (0.42) ACHETSHRHPGDALDH1A1TP53
SCHEMBL12922582 0.84 TSHR (0.45) ACHETSHRHPGDALDH1A1TP53
SCHEMBL12111976 0.83 TSHR (0.57) ACHETSHRHPGDALDH1A1TP53

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
WO-2020227264-A1 FLUORENE DERIVATIZED MONOMERS AND POLYMERS FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2020-11-12 WO disclosed