SCHEMBL8651995

SCHEMBL8651995

COC(=O)C1(NC(=O)C(Cl)c2ccc(C)cc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALPL P05186 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
PKM P14618 1/20 0.35
ADRB2 P07550 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8654389 1.00 MAPT (0.41) MAPTALDH1A1L3MBTL1ALPLCYP3A4
SCHEMBL8652690 1.00 MAPT (0.41) MAPTALDH1A1L3MBTL1ALPLCYP3A4
SCHEMBL8654662 0.99 MAPT (0.39) MAPTALDH1A1L3MBTL1ALPLCYP3A4
SCHEMBL6475365 0.88 MEN1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL6481332 0.88 MEN1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL6483593 0.88 MEN1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL6475580 0.87 MEN1 (0.41) MAPTNPSR1
SCHEMBL8654879 0.86 PYGL (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19ADRB2
SCHEMBL8657354 0.86 PYGL (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19ADRB2
SCHEMBL8663533 0.86 PYGL (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19ADRB2

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
US-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed