SCHEMBL2597749

SCHEMBL2597749

CCCCC(CC)C[CH]CCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 4/20 0.39
TSHR P16473 4/20 0.39
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 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
SCHEMBL1803766 0.98 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2525445 0.98 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5057071 0.88 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL6704637 0.86 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2152743 0.86 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8205166 0.86 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL12543618 0.86 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28834557 0.86 LMNA (0.45) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL4818495 0.86 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL10337324 0.86 LMNA (0.45) ALDH1A1TDP1CYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011145933-A1 ORGANOPHILIC POLYSILSESQUIOXANE MEMBRANES FOR SOLVENT NANOFILTRATION AND PERVAPORATION STICHTING ENERGIEONDERZOEK CENTRUM NEDERLAND (NL) 2011-11-24 WO disclosed
EP-0798365-A1 Ester lubricants ALBEMARLE CORPORATION (US) 1997-10-01 EP disclosed
US-5271858-A Field dependent fluids containing electrically conductive tin oxide coated materials ENSCI INC. (US) 1993-12-21 US disclosed
US-4062947-A Di-N-alkylaminoglycosides, methods for their manufacture and novel intermediates useful therein, method for their use as antibacterial agents and pharmaceutical compositions useful therefor SCHERING CORPORATION (US) 1977-12-13 US disclosed