SCHEMBL2968414

SCHEMBL2968414

CCC1(C(=O)Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
VCAM1 P19320 9/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
ATM Q13315 1/20 0.36
HPN P05981 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL11205747 0.80 CA2 (0.45) CA1CA2VCAM1LMNARECQL
SCHEMBL100583 0.72 CA2 (0.53) CA1CA2VCAM1LMNARECQL
SCHEMBL6066750 0.72 GAA (0.43) CA1CA2VCAM1LMNAATM
SCHEMBL5156872 0.71 CYP3A4 (0.37) CA2VCAM1ALDH1A1
SCHEMBL28145989 0.71 CA2 (0.61) CA1CA2VCAM1LMNARECQL
SCHEMBL30999666 0.71 CA2 (0.52) CA1CA2VCAM1LMNARECQL
SCHEMBL28207236 0.71 CA2 (0.52) CA1CA2VCAM1LMNARECQL
Methane SCHEMBL4563808 0.71 CA2 (0.52) CA1CA2VCAM1LMNARECQL
SCHEMBL10695503 0.71 CYP19A1 (0.41) LMNAALDH1A1GAAKDM4EKMT2A
SCHEMBL20390061 0.71 CA2 (0.55) CA1CA2VCAM1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781035-B2 Container for precision substrate ZEON CORPORATION (JP) 2010-08-24 US disclosed
US-20100010138-A1 Organic/Inorganic Composite Material and Optical Element KONICA MINOLTA OPTO, INC. (JP) 2010-01-14 US disclosed
US-20040224110-A1 Container for precision substrate ZEON CORPORATION (JP) 2004-11-11 US disclosed
EP-1429380-A1 CONTAINER FOR PRECISION SUBSTRATE Zeon Corporation (JP) 2004-06-16 EP disclosed
EP-0046538-B1 OLIGOMERIC FORMAL DIOLS OF POLY(TETRAMETHYLENE ETHER) GLYCOL AND POLYURETHANES PREPARED THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-11-14 EP disclosed
US-4355119-A Oligomeric formal diols of poly(tetramethylene ether) glycol and polyurethanes prepared therefrom E. I. DUPONT DE NEMOURS AND COMPANY (US) 1982-10-19 US disclosed
US-4340719-A Oligomeric formal diols of poly(tetramethylene ether) glycol and polyurethanes prepared therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-20 US disclosed
EP-0046538-A2 Oligomeric formal diols of poly(tetramethylene ether) glycol and polyurethanes prepared therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-03 EP disclosed