SCHEMBL5082071

SCHEMBL5082071

COC(=O)c1ccc(C(C)=O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
CA12 O43570 4/20 0.65
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
CA7 P43166 4/20 0.65
CA9 Q16790 4/20 0.65
CA14 Q9ULX7 4/20 0.65
PDK2 Q15119 1/20 0.65
PDK4 Q16654 1/20 0.65
GAA P10253 3/20 0.61
XDH P47989 2/20 0.56
LMNA P02545 3/20 0.53
TSHR P16473 1/20 0.53
MYC P01106 1/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL162631 0.89 CA12 (0.71) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL29501115 0.89 CA12 (0.71) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL10564137 0.87 CA12 (0.69) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL12040085 0.86 CA12 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL330670 0.85 CA12 (0.65) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL31258831 0.85 CA12 (0.65) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL1483249 0.85 CA12 (0.65) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL5917807 0.85 CA12 (0.67) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL20414588 0.84 CA12 (0.62) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL30928356 0.83 KDM4E (0.53) SMN1; SMN2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086937-A9 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-02-02 WO disclosed
WO-2022086937-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed
EP-2007675-A2 CARBONACEOUS MATERIALS University of York (GB) 2008-12-31 EP disclosed
WO-2007104798-A2 MESOPOROUS CARBONACEOUS MATERIALS, PREPARATION AND USE THEREOF UNIVERSITY OF YORK (GB) 2007-09-20 WO disclosed