SCHEMBL11601033

SCHEMBL11601033

O=C1CCN(CC2CO2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
HBB P68871 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRBN Q96SW2 7/20 0.45
DDB1 Q16531 6/20 0.45
GAA P10253 3/20 0.40
DHFR P00374 1/20 0.34
CDA P32320 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL544564 0.81 TP53 (0.48) TP53HBBSMN1; SMN2CRBNDHFR
SCHEMBL11568357 0.73 CRBN (0.55) CRBNDDB1GAACDAMEN1
SCHEMBL17599183 0.73 SMN1; SMN2 (0.48) TP53HBBSMN1; SMN2DHFRMEN1
SCHEMBL3471790 0.71 TP53 (0.56) TP53HBBSMN1; SMN2DHFRALDH1A1
SCHEMBL11598636 0.71 TP53 (0.56) TP53HBBSMN1; SMN2DHFRALDH1A1
SCHEMBL17599197 0.70 SMN1; SMN2 (0.45) TP53HBBSMN1; SMN2DHFRCDA
SCHEMBL7961031 0.70 CRBN (0.52) CRBNDDB1GAAMEN1ALDH1A1
SCHEMBL22398815 0.69 TP53 (0.48) TP53HBBSMN1; SMN2MEN1ALDH1A1
SCHEMBL1576503 0.69 TP53 (0.48) TP53HBBSMN1; SMN2MEN1ALDH1A1
SCHEMBL4511967 0.68 TP53 (0.42) TP53HBBSMN1; SMN2CRBNGAA

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-4117029-A VINYL CHLORIDE POLYE NITTO KASEI CO. LTD. (JP) 1978-09-26 US claimed
US-4117029-A VINYL CHLORIDE POLYE NITTO KASEI CO. LTD. (JP) 1978-09-26 US disclosed