SCHEMBL8018917

SCHEMBL8018917

CC(C)(C)c1cc(C(=O)NCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.75
NR5A1 Q13285 1/20 0.75
GSR P00390 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ESRRG P62508 6/20 0.41
ESRRB O95718 3/20 0.40
ALOX5 P09917 3/20 0.40
PTGS2 P35354 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40

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
SCHEMBL18613875 0.88 NR5A2 (0.84) NR5A2NR5A1ALDH1A1ESRRGESRRB
SCHEMBL8607738 0.87 NR5A2 (0.73) NR5A2NR5A1ESRRGESRRBALOX5
SCHEMBL18613872 0.86 NR5A2 (1.00) NR5A2NR5A1ALDH1A1MAPTESRRG
SCHEMBL7940363 0.85 NR5A2 (0.56) NR5A2NR5A1GSRALDH1A1KDM4E
SCHEMBL27348030 0.85 NR5A2 (0.74) NR5A2NR5A1ALDH1A1KDM4EESRRG
SCHEMBL18613883 0.85 NR5A2 (0.92) NR5A2NR5A1ALDH1A1MAPTPTGS2
SCHEMBL8609756 0.85 NR5A2 (0.78) NR5A2NR5A1ALDH1A1MAPTESRRG
SCHEMBL28998448 0.85 NR5A2 (0.78) NR5A2NR5A1ALDH1A1MAPTESRRG
SCHEMBL10577013 0.81 NR5A2 (0.65) NR5A2NR5A1ALDH1A1KDM4EMAPT
SCHEMBL5058222 0.81 NR5A2 (0.65) NR5A2NR5A1ALDH1A1ALOX5PTGS2

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-6075159-A USE AS A STABILIZER FOR AN ORGANIC MATERIAL SUCH AS THERMOPLASTIC RESINS, THERMOSETTING RESINS, NATURAL OR SYNTHETIC RUBBERS, MINERAL OILS, LUBRICATING OILS, ADHESIVES AND PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-13 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed