SCHEMBL9400306

SCHEMBL9400306

CCCCN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 6/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.38
F2R P25116 2/20 0.35
KMT2A Q03164 3/20 0.34
ALOX5 P09917 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL9400323 0.93 PTGS1 (0.38) PTGS2PTGS1LMNARECQLTSHR
SCHEMBL7516734 0.87 PTGS2 (0.46) PTGS2PTGS1LMNARECQLF2R
SCHEMBL10581738 0.85 LMNA (0.37) PTGS2PTGS1LMNARECQLTSHR
SCHEMBL10578310 0.84 PTGS2 (0.44) PTGS2PTGS1LMNARECQLF2R
SCHEMBL7482673 0.81 PTGS2 (0.47) PTGS2PTGS1LMNARECQLF2R
SCHEMBL1264011 0.74 TSHR (0.64) PTGS2PTGS1LMNARECQLTSHR
SCHEMBL9400312 0.73 TSHR (0.37) TSHRKMT2AMEN1ALDH1A1ESR1
SCHEMBL9400316 0.71 TSHR (0.41) LMNATSHRKMT2AMEN1ALDH1A1
SCHEMBL1138443 0.71 SRD5A1 (0.34) THRB
SCHEMBL9440221 0.70 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300647-A Light stabilizers for polyolefins, other polymers CIBA-GEIGY CORPORATION (US) 1994-04-05 US claimed
US-5300647-A Light stabilizers for polyolefins, other polymers CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed