SCHEMBL24671656

SCHEMBL24671656

CC1CC(=O)N(CCC(N)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.34
FKBP1A P62942 1/20 0.33
BRD4 O60885 2/20 0.33
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL20845390 0.86 FKBP1A (0.35) CYP19A1FKBP1ABRD4ALDH1A1GAA
SCHEMBL23948519 0.81 LMNA (0.41) CYP19A1ALDH1A1GAALMNATSHR
SCHEMBL14589097 0.80 CYP19A1 (0.39) CYP19A1BRD4ALDH1A1GAA
SCHEMBL15199705 0.78 ALDH1A1 (0.33) CYP19A1BRD4ALDH1A1GAALMNA
SCHEMBL17614238 0.77 CYP19A1 (0.38) CYP19A1ALDH1A1GAATSHR
SCHEMBL13071576 0.77 BRD4 (0.39) CYP19A1BRD4ALDH1A1GAALMNA
SCHEMBL16566171 0.76 CYP19A1 (0.44) CYP19A1ALDH1A1GAALMNA
SCHEMBL12410325 0.76 CYP19A1 (0.41) CYP19A1ALDH1A1GAA
SCHEMBL21320248 0.76 CYP19A1 (0.33) CYP19A1
SCHEMBL24594822 0.75 LMNA (0.36) CYP19A1BRD4ALDH1A1LMNATSHR

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-2022178753-A1 TARGETING CONJUGATES COMPRISING TARGETING MOIETY BINDING FRAGMENTS AND USES THEREOF SHANGHAI ALLYGEN BIOLOGICS CO., LTD. (CN) 2022-09-01 WO disclosed