SCHEMBL11306201

SCHEMBL11306201

CC(C)(C)c1cc(C(=Cc2ccccc2)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.61
AKR1C1 Q04828 3/20 0.57
AKR1C3 P42330 3/20 0.49
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 3/20 0.47
AKR1C2 P52895 2/20 0.47
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
GPR55 Q9Y2T6 1/20 0.43
POLB P06746 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 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
SCHEMBL2848865 0.92 TNFRSF1A (0.53) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
SCHEMBL4353105 0.92 TNFRSF1A (0.53) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
1,6-Hexanediol SCHEMBL9720404 0.91 TNFRSF1A (0.52) TNFRSF1AAKR1C1AKR1C3GABBR2GABBR1
SCHEMBL2848863 0.82 TNFRSF1A (0.51) TNFRSF1AAKR1C1GABBR2GABBR1MEN1
SCHEMBL11300871 0.80 GABBR2 (0.51) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL11300882 0.80 GABBR2 (0.51) TNFRSF1AGABBR2GABBR1MEN1KMT2A
SCHEMBL11307029 0.78 CYP3A4 (0.60) TNFRSF1AAKR1C3GABBR2GABBR1MEN1
SCHEMBL9686029 0.76 GABBR2 (0.47) TNFRSF1AGABBR2GABBR1ALDH1A1PTGS2
SCHEMBL181529 0.74 AKR1C1 (1.00) AKR1C1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL39275 0.74 AKR1C1 (1.00) AKR1C1AKR1C3MEN1KMT2AALDH1A1

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-4281080-A TACKIFIERS FOR RUBBERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-07-28 US disclosed
US-4010140-A Age resistant resin compositions and admixtures useful as adhesives THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US disclosed