SCHEMBL9821535

SCHEMBL9821535

CC(C)CCCCCCC[Ti](CCCCCCCC(C)C)(CCCCCCCC(C)C)CCCCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL1602400 1.00 LMNA (0.48) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL2038809 0.83 LMNA (0.43) LMNA
SCHEMBL104886 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL7580335 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL105972 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL11723029 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL11207754 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL20530387 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL21925059 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL16097135 0.80 LMNA (0.67) LMNAKDM4CKDM4APHF8KDM2A

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
EP-0181710-B1 STAIN-RESISTANT PLASTICIZERS AND POLYVINYL CHLORIDE COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-12-11 EP disclosed
US-4656214-A DIESTERS EXXON RESEARCH & ENGINEERING CO. (US) 1987-04-07 US disclosed
EP-0181710-A2 Stain-resistant plasticizers and polyvinyl chloride compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-05-21 EP disclosed