SCHEMBL7086461

SCHEMBL7086461

C[CH]CCC(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 6/20 0.41
CYP3A4 P08684 4/20 0.41
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL3884491 0.90 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28203416 0.86 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28277714 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL8835968 0.83 LMNA (0.48) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL377895 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28271647 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28154762 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28153776 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28161676 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28271792 0.81 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333434-A1 OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2003-08-06 EP disclosed
US-20030021942-A1 Optical recording medium MITSUI CHEMICALS, INC. (JP) 2003-01-30 US disclosed