SCHEMBL16130372

SCHEMBL16130372

C=CCOCCCOC(=O)[C@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL2608175 0.82 TDP1 (0.44) TDP1TSHRHPGDMEN1POLB
SCHEMBL1110727 0.81
SCHEMBL28496420 0.81
SCHEMBL905193 0.81
SCHEMBL2608194 0.81 TDP1 (0.42) TDP1TSHRHPGDMEN1POLB
SCHEMBL16130358 0.80 ALDH1A1 (0.39) TDP1TSHRHPGDALDH1A1CYP3A4
SCHEMBL16130378 0.79 ALDH1A1 (0.42) TSHRHPGDALDH1A1CYP3A4MAPT
SCHEMBL7760169 0.78 ALDH1A1 (0.48) TDP1TSHRHPGDMEN1POLB
SCHEMBL2132279 0.77 TDP1 (0.36) TDP1TSHRHPGDMEN1POLB
SCHEMBL11285627 0.77 TDP1 (0.36) TDP1TSHRHPGDMEN1POLB

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
US-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846638-B2 Macrocyclic nucleoside phosphoramidate derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed