SCHEMBL27998616

SCHEMBL27998616

CCCCCC(C)(OO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
SIGMAR1 Q99720 2/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.36
KIF11 P52732 1/20 0.36
LTA4H P09960 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
EBP Q15125 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
SCHEMBL8971230 0.98 ALDH1A1 (0.46) ALDH1A1ALOX15SIGMAR1CNR1CNR2
SCHEMBL1581689 0.98 ALDH1A1 (0.46) ALDH1A1ALOX15SIGMAR1CNR1CNR2
Hexane SCHEMBL8712556 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1LTA4H
SCHEMBL1581716 0.84 MAPK1 (0.42) SIGMAR1CNR1CNR2GAAMAPK1
SCHEMBL28944297 0.84 CNR2 (0.40) SIGMAR1CNR1CNR2GAAMAPK1
SCHEMBL5180283 0.84 MAPK1 (0.38) ALDH1A1ALOX15SIGMAR1CNR1CNR2
SCHEMBL1581356 0.84 MAPK1 (0.42) SIGMAR1CNR1CNR2GAAMAPK1
SCHEMBL21681665 0.81 MAPK1 (0.41) ALDH1A1ALOX15SIGMAR1MAPK1KIF11
SCHEMBL3481672 0.80 MAPK1 (0.38) ALDH1A1ALOX15SIGMAR1CNR1CNR2
SCHEMBL9247488 0.80 ESR1 (0.43) ALDH1A1CNR2MEN1KMT2A

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
CN-104334621-B Non-aqueous sound absorption compound with solvent-free palyacrylate binder 巴斯夫欧洲公司 2018-02-16 CN disclosed
CN-104334621-A Non-aqueous sound-absorbing compound with a solvent-free polyacrylate binder BASF SE 2015-02-04 CN disclosed