SCHEMBL19035550

SCHEMBL19035550

CCCCCCC(CCCC)CCOCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.41
CYP3A4 P08684 2/20 0.40
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.35
CA2 P00918 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19334623 0.98 LMNA (0.48) LMNADNM1CYP3A4OPRM1TSHR
SCHEMBL19334591 0.98 LMNA (0.48) LMNADNM1CYP3A4OPRM1TSHR
SCHEMBL23059764 0.96 LMNA (0.43) LMNADNM1CYP3A4OPRM1ALDH1A1
SCHEMBL18595201 0.94 LMNA (0.45) LMNADNM1CYP3A4OPRM1TSHR
SCHEMBL15758044 0.94 LMNA (0.45) LMNADNM1CYP3A4OPRM1TSHR
SCHEMBL9233920 0.86 LMNA (0.48) LMNADNM1CYP3A4OPRM1ALDH1A1
SCHEMBL23059914 0.85 LMNA (0.45) LMNADNM1CYP3A4OPRM1ALDH1A1
SCHEMBL11989345 0.84 CYP3A4 (0.50) LMNACYP3A4OPRM1ALDH1A1TDP1
SCHEMBL14958272 0.84 LMNA (0.48) LMNADNM1CYP3A4OPRM1TSHR
SCHEMBL30198860 0.82 HTT (0.52) LMNADNM1CYP3A4ALDH1A1TDP1

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-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed