SCHEMBL7944787

SCHEMBL7944787

Cc1cc(CCC(=O)N(C)CCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.36
GAA P10253 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL7943151 0.88 CYP2C19 (0.40) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL8608157 0.86 HSPA5 (0.51) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7940213 0.86 HSPA5 (0.50) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7942923 0.85 HSPA5 (0.49) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7933578 0.82 ALDH1A1 (0.54) SMN1; SMN2CYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL7944831 0.82 HSPA5 (0.51) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL7943156 0.82 CA2 (0.41) SMN1; SMN2ALDH1A1CA2MAPK1KDM4E
SCHEMBL8031725 0.81 GAA (0.46) SMN1; SMN2CYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL3440651 0.79 HSPA5 (0.62) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL29504926 0.79 HSPA5 (0.62) HSPA5SMN1; SMN2CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
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