SCHEMBL29482126

SCHEMBL29482126

COc1cccc(-c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.57
ORAI1 Q96D31 2/20 0.57
KDM4C Q9H3R0 5/20 0.56
KDM6B O15054 3/20 0.56
KDM2A Q9Y2K7 3/20 0.56
KDM3A Q9Y4C1 3/20 0.56
KDM4E B2RXH2 2/20 0.56
KDM5C P41229 2/20 0.56
WNK1 Q9H4A3 1/20 0.55
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
KMO O15229 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
KDM5A P29375 2/20 0.53
KDM5B Q9UGL1 2/20 0.53
KDM2B Q8NHM5 1/20 0.53
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
VDR P11473 1/20 0.52
KDM4D Q6B0I6 1/20 0.52

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
SCHEMBL21311114 1.00 STIM1 (0.57) STIM1ORAI1KDM4CKDM6BKDM2A
SCHEMBL28493230 0.87 KDM4E (0.58) KDM4CKDM6BKDM2AKDM3AKDM4E
SCHEMBL4254012 0.86 STIM1 (0.62) STIM1ORAI1KDM4EKMOMRGPRX4
SCHEMBL14226748 0.85 WNK1 (0.53) STIM1ORAI1WNK1DYRK1ACLK4
SCHEMBL4784817 0.85 WNK1 (0.53) WNK1DYRK1ACLK4ABL1BCR
SCHEMBL14241073 0.85 WNK1 (0.55) WNK1DYRK1ACLK4ABL1BCR
SCHEMBL1179961 0.84 KDM4E (0.60) KDM4CKDM6BKDM2AKDM3AKDM4E
SCHEMBL14616158 0.84 DHODH (0.53) STIM1ORAI1KDM4CKDM6BKDM2A
SCHEMBL29723246 0.84 KDM4C (0.67) KDM4CKDM6BKDM2AKDM3AKDM4E
SCHEMBL28441960 0.84 KDM4C (0.67) KDM4CKDM6BKDM2AKDM3AKDM4E

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
CN-113912871-B Separation method of palmitoyl pentapeptide-4 浙江湃肽生物有限公司深圳分公司 2022-04-15 CN claimed
CN-113912871-B Separation method of palmitoyl pentapeptide-4 浙江湃肽生物有限公司深圳分公司 2022-04-15 CN disclosed