SCHEMBL7941214

SCHEMBL7941214

CC(C)(C)c1cc(COCCCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 7/20 0.37
HSPA5 P11021 2/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP2C9 P11712 6/20 0.36
HIF1A Q16665 3/20 0.36
VCAM1 P19320 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 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
SCHEMBL7942533 0.96 ALDH1A1 (0.43) ALDH1A1MAPK1HTTGAAXBP1
SCHEMBL7941036 0.90 ALDH1A1 (0.42) ALDH1A1MAPK1HTTGAAXBP1
SCHEMBL6940479 0.87 NR5A2 (0.46) ALDH1A1MAPK1HTTGAAXBP1
SCHEMBL7942457 0.86 HSPA5 (0.55) ALDH1A1MAPK1HTTNPSR1CYP2C19
SCHEMBL7940325 0.81 HSPA5 (0.57) ALDH1A1MAPK1HTTNPSR1CYP2C19
SCHEMBL7942997 0.81 HSPA5 (0.36) ALDH1A1MAPK1HTTGAANPSR1
SCHEMBL6568751 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTGAAXBP1
SCHEMBL7595541 0.79 GAA (0.40) ALDH1A1MAPK1HTTGAAXBP1
SCHEMBL7941416 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1HTTGAANPSR1
SCHEMBL6568745 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1HTTGAAXBP1

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed