SCHEMBL21200913

SCHEMBL21200913

CC(c1cccc(N)c1)C(O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.54
CPB2 Q96IY4 1/20 0.54
LMNA P02545 4/20 0.50
HIF1A Q16665 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PBRM1 Q86U86 1/20 0.42
PTGS1 P23219 3/20 0.40
MAPT P10636 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2165271 0.82 ACP3 (0.47) LMNAHIF1AKDM4EPTGS1MAPT
SCHEMBL8579553 0.81 PTGS1 (0.59) CPN1CPB2LMNAHIF1AKDM4E
SCHEMBL360725 0.81 PTGS1 (0.59) CPN1CPB2LMNAHIF1AKDM4E
SCHEMBL180160 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
SCHEMBL10024370 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
SCHEMBL7525226 0.81 LMNA (0.54) LMNAHIF1AKDM4EPTGS2MAPK1
Hydrochloric Acid SCHEMBL1177638 0.80 PTGS1 (0.57) CPN1CPB2LMNAHIF1AKDM4E
SCHEMBL21200033 0.79 CPN1 (0.44) CPN1CPB2LMNAKDM4EMAPT
SCHEMBL7080114 0.77 CPN1 (0.61) CPN1CPB2LMNAHIF1AKDM4E
SCHEMBL1095105 0.77 LMNA (0.61) CPN1CPB2LMNAKDM4EPBRM1

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
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed