SCHEMBL6497888

SCHEMBL6497888

CCCCOC(=O)c1[c]ccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
CYP3A4 P08684 4/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
PDE4D Q08499 1/20 0.55
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 8/20 0.45
MAPK1 P28482 3/20 0.45
CYP2D6 P10635 2/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6948241 0.84 ESR1 (0.54) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL131719 0.77 TSHR (0.60) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL11085145 0.76 GAA (0.47) TSHRALDH1A1HSD17B10MAPTRAB9A
SCHEMBL7297972 0.74 STS (0.44) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL6950385 0.74 LMNA (0.53) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL7734044 0.74 TSHR (0.65) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL11109738 0.73 ALDH1A1 (0.68) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL5137750 0.73 ALDH1A1 (0.68) TSHRCYP3A4LMNACYP1A2CYP2C19
SCHEMBL4630359 0.73 TSHR (0.61) TSHRCYP3A4LMNAALDH1A1HSD17B10
SCHEMBL5175629 0.73 CYP1A2 (0.67) TSHRCYP3A4LMNACYP1A2CYP2C19

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-6909005-B1 One post synthesis of 2-oxazolidinone derivatives ASTRAZENECA UK LIMITED (GB) 2005-06-21 US disclosed