SCHEMBL9860910

SCHEMBL9860910

C#CCCCC(=O)c1cc(CC=C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.73
PTGS1 P23219 8/20 0.73
ALOX5 P09917 6/20 0.73
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
F2R P25116 3/20 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
SCHEMBL10551136 0.93 ALOX5 (0.61) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10551269 0.89 PTGS2 (0.70) PTGS2PTGS1ALOX5KMT2AMEN1
Tebufelone SCHEMBL43674 0.85 PTGS2 (1.00) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10551397 0.83 PTGS2 (0.76) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7696046 0.81 PTGS2 (0.91) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860870 0.80 PTGS2 (0.84) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10548270 0.80 PTGS2 (0.70) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7704620 0.80 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9420125 0.80 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860963 0.78 PTGS2 (0.85) PTGS2PTGS1ALOX5KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4982006-A Process for the preparation of certain substituted aromatic compounds NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-01-01 US disclosed
US-4847303-A UNSATURATED KETONES THE PROCTER & GAMBLE COMPANY (US) 1989-07-11 US disclosed
EP-0321432-A1 Process for the preparation of certain substituted aromatic compounds Norwich Eaton Pharmaceuticals, Inc. (US) 1989-06-21 EP disclosed
EP-0318090-A2 Tert-butyl phenyl compounds as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1989-05-31 EP disclosed