SCHEMBL9504129

SCHEMBL9504129

CC(C)(C)OCC(C)(ON(C(C)(C)C)C(C)(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNN4 O15554 1/20 0.31
CHRM2 P08172 1/20 0.31
KIF11 P52732 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL16732054 0.67 POLB (0.40) ALDH1A1CHRM2CYP2C19HIF1A
SCHEMBL16732273 0.67 ELANE (0.43) ALDH1A1KCNN4CHRM2CYP2C19HIF1A
SCHEMBL28594510 0.66 MAPK1 (0.39) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL11208770 0.65 MAPK1 (0.52) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL8850056 0.63 KIF11 (0.52) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL9470984 0.62 MAPK1 (0.61) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL487150 0.62 MAPK1 (0.43) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL464717 0.62 MAPK1 (0.48) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL746390 0.62 MAPK1 (0.43) MAPK1TAAR1ALDH1A1ALOX15KCNN4
SCHEMBL7448596 0.61 MAPK1 (0.46) MAPK1TAAR1ALDH1A1ALOX15KCNN4

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-0135280-B1 NEW POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREBY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-05-12 EP disclosed
US-4581429-A Polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-04-08 US disclosed
EP-0135280-A2 New polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-03-27 EP disclosed