SCHEMBL8018882

SCHEMBL8018882

Cc1cc(C(=O)NC(C)(CO)CO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA2 P00918 2/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
HSPA5 P11021 1/20 0.45
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
HIF1A Q16665 3/20 0.44
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 1/20 0.43
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL7942516 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7933531 0.85 NR5A2 (0.59) ALDH1A1CA2CYP2C9CYP2C19HIF1A
SCHEMBL7940363 0.79 NR5A2 (0.56) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7933901 0.79 CA2 (0.48) ALDH1A1CA2POLBNR5A2NR5A1
SCHEMBL8018921 0.78 LMNA (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7944869 0.77 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7198879 0.76 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8604816 0.75 NR5A2 (0.54) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7933847 0.75 HSPA5 (0.51) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7636127 0.74 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2CA2POLBTYR

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