SCHEMBL13039749

SCHEMBL13039749

CC(=O)[C@H](NC(=O)c1ccccc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.56
SLC1A2 P43004 1/20 0.54
CCR1 P32246 8/20 0.53
HSPA5 P11021 1/20 0.52
HSPA9 P38646 1/20 0.52
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL9441690 1.00 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL14306379 1.00 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL12562198 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL14828718 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9462009 0.87 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1168551 0.87 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1168553 0.87 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL19939555 0.84 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL15833197 0.84 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL14318468 0.84 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT

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-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed