SCHEMBL10653399

SCHEMBL10653399

C=C(SC(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ELANE P08246 1/20 0.41
EGFR P00533 2/20 0.40
AKT1 P31749 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL21697627 0.82 CES2 (0.39) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL285026 0.82 CA2 (0.48) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL658242 0.81 CES1 (0.41) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL1271166 0.77 CES1 (0.50) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL17030432 0.77 ELANE (0.36) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL6679191 0.74 CES2 (0.46) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL26929048 0.74 CES2 (0.46) CES2CES1MAPTSMN1; SMN2TSHR
SCHEMBL14294140 0.74 ELANE (0.34) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL9222482 0.72 CES2 (0.45) CES2CES1MAPTLMNATSHR
SCHEMBL21243039 0.72 LMNA (0.47) CES2CES1MAPTSMN1; SMN2LMNA

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
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 EP disclosed