SCHEMBL6396274

SCHEMBL6396274

CC(NC(=O)O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL17141355 0.81 ATM (0.39) SMN1; SMN2PKMALDH1A1TSHRCYP2C19
SCHEMBL17141389 0.81 ATM (0.39) SMN1; SMN2PKMALDH1A1TSHRCYP2C19
SCHEMBL2697887 0.79 SMN1; SMN2 (0.47) SMN1; SMN2PKMALDH1A1TSHRMAPT
SCHEMBL6628443 0.79 SMN1; SMN2 (0.43) SMN1; SMN2PKMALDH1A1TSHRCYP3A4
SCHEMBL1070950 0.78 SMN1; SMN2 (0.42) SMN1; SMN2PKMALDH1A1TSHRCYP3A4
SCHEMBL1070614 0.78 TSHR (0.47) SMN1; SMN2PKMALDH1A1TSHRMAPT
SCHEMBL8939923 0.77 ALDH1A1 (0.47) SMN1; SMN2PKMALDH1A1TSHRCYP3A4
SCHEMBL23037020 0.77 SMN1; SMN2 (0.45) SMN1; SMN2PKMALDH1A1TSHRCYP3A4
SCHEMBL6632269 0.76 CHRM5 (0.44) KMT2A
SCHEMBL5845946 0.74 SMN1; SMN2 (0.38) SMN1; SMN2PKMALDH1A1MAPTKMT2A

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-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed