SCHEMBL22201216

SCHEMBL22201216

C[C@H]1NC(=O)CC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.43
HDAC8 Q9BY41 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
BRD4 O60885 5/20 0.41
EP300 Q09472 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G5 P39877 1/20 0.41
CTSD P07339 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL22190336 0.78 HDAC8 (0.41) HDAC8DDB1CRBNEP300CTSD
SCHEMBL22559986 0.77 CTSD (0.44) CREBBPBRD4CTSD
SCHEMBL6976103 0.76 CTSD (0.49) CREBBPDDB1CRBNCTSD
SCHEMBL6968377 0.76 CTSD (0.49) CREBBPDDB1CRBNCTSD
SCHEMBL6976101 0.76 CTSD (0.49) CREBBPDDB1CRBNCTSD
SCHEMBL7385153 0.76 HDAC8 (0.47) CREBBPHDAC8DDB1CRBNBRD4
SCHEMBL7385157 0.76 HDAC8 (0.47) CREBBPHDAC8DDB1CRBNBRD4
SCHEMBL5136681 0.71 EP300 (0.44) HDAC8DDB1CRBNEP300GBA1
SCHEMBL16889105 0.71
SCHEMBL5136682 0.71 EP300 (0.44) HDAC8DDB1CRBNEP300GBA1

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