SCHEMBL21697064

SCHEMBL21697064

CN1CCCC1C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
F2 P00734 4/20 0.53
FKBP1A P62942 1/20 0.51
LIPG Q9Y5X9 1/20 0.50
AOC3 Q16853 2/20 0.49
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
AADAT Q8N5Z0 1/20 0.47

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
SCHEMBL24820758 0.89 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL10144672 0.89 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL7302729 0.89 CYP3A4 (0.64) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL17048548 0.86 P2RX7 (0.50) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL21696782 0.85 FKBP1A (0.61) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL18885617 0.83 P2RX7 (0.49) ALDH1A1SMN1; SMN2F2AADAT
SCHEMBL18882736 0.83 P2RX7 (0.47) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM
SCHEMBL21430529 0.79 CYP3A4 (0.52) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL12733420 0.79 FKBP1A (0.66) ALDH1A1CYP3A4CYP2C19FKBP1ANPC1
SCHEMBL20111166 0.78 HDAC1 (0.61) ALDH1A1SMN1; SMN2CYP3A4CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed