SCHEMBL7942418

SCHEMBL7942418

CCC(C)(C)c1cc(C(=O)OCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 8/20 0.42
SERPINE1 P05121 4/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
VCAM1 P19320 1/20 0.38

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
SCHEMBL7943043 0.91 LMNA (0.49) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7942545 0.88 ESR1 (0.41) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933567 0.88 SERPINE1 (0.42) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7942620 0.88 ESR1 (0.54) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7933568 0.86 ESR1 (0.48) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7942431 0.84 HSPA5 (0.45) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7943237 0.84 TNFRSF1A (0.40) LMNAESR1KDM4EALDH1A1MAPK1
SCHEMBL11615042 0.83 SERPINE1 (0.55) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7943065 0.83 ESR1 (0.54) LMNARECQLESR1SERPINE1AKR1C4
SCHEMBL7940101 0.82 SERPINE1 (0.51) LMNARECQLESR1SERPINE1AKR1C4

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
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed