SCHEMBL9807328

SCHEMBL9807328

CC(C)(C)c1cc(C(=O)Oc2cccc(O)c2C(=O)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TNFRSF1A P19438 1/20 0.43
PTGS2 P35354 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9326902 0.86 APEX1 (0.45) SERPINE1KMT2AMEN1ESR1ESR2
SCHEMBL78197 0.82 ESR1 (0.66) SERPINE1KMT2AMEN1ESR1ESR2
SCHEMBL9807325 0.81 TNFRSF1A (0.49) TNFRSF1APTGS2ALOX5PTGS1TDP1
SCHEMBL2374902 0.81 SERPINE1 (0.54) SERPINE1SMN1; SMN2GAANPSR1TNFRSF1A
SCHEMBL11786628 0.78 SELL (0.52) SERPINE1KMT2AMEN1GAATNFRSF1A
SCHEMBL9280957 0.78 ALOX5 (0.55) SERPINE1KMT2AMEN1ESR1ESR2
SCHEMBL77853 0.78 NPSR1 (0.52) KMT2AMEN1ESR1ESR2SMN1; SMN2
SCHEMBL8777982 0.78 TSHR (0.58) SERPINE1SMN1; SMN2GAANPSR1TNFRSF1A
SCHEMBL29612711 0.78 PTGS1 (0.48) SERPINE1KMT2AMEN1ESR1ESR2
SCHEMBL1796301 0.78 PTGS1 (0.48) SERPINE1KMT2AMEN1ESR1ESR2

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-5019613-A Light stabilizers CIBA-GEIGY CORPORATION (US) 1991-05-28 US disclosed
US-4830770-A EXTREME PRESSURE LUBRICANTS CIBA-GEIGY CORPORATION (US) 1989-05-16 US disclosed