SCHEMBL22201148

SCHEMBL22201148

Cc1ccccc1[C@@H]1CCC(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.57
CRBN Q96SW2 2/20 0.57
HTR2C P28335 2/20 0.44
PBRM1 Q86U86 2/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 1/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL16796822 1.00 DDB1 (0.57) DDB1CRBNHTR2CPBRM1TNKS2
SCHEMBL16796979 0.79 ALDH1A1 (0.43) DDB1CRBNPBRM1ALDH1A1KDM4E
SCHEMBL29748101 0.79 DDB1 (0.43) DDB1CRBNHTR2CPBRM1TNKS2
SCHEMBL29747631 0.79 DDB1 (0.43) DDB1CRBNHTR2CPBRM1TNKS2
SCHEMBL7870683 0.79 DDB1 (0.47) DDB1CRBNHTR2CPBRM1TNKS2
SCHEMBL24282772 0.79 TNKS2 (0.42) DDB1CRBNTNKS2ALDH1A1IKBKB
SCHEMBL19745457 0.79 GAA (0.56) DDB1CRBNPBRM1TNKS2ALDH1A1
SCHEMBL5889291 0.79 IKBKB (0.42) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL31444352 0.79 GAA (0.56) DDB1CRBNPBRM1TNKS2ALDH1A1
SCHEMBL16796768 0.78 CRBN (0.39) DDB1CRBNHTR2CIKBKBRAB9A

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed