SCHEMBL5608495

SCHEMBL5608495

COC(=O)[C@H](Cc1ccccc1)Nc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.62
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
PPARG P37231 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PPARA Q07869 1/20 0.54
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL5608490 1.00 FPR2 (0.62) FPR2ALDH1A1RAB9APPARGMAPT
SCHEMBL28946718 0.90 FPR2 (0.71) FPR2ALDH1A1RAB9APPARGMAPT
SCHEMBL28946720 0.90 FPR2 (0.71) FPR2ALDH1A1RAB9APPARGMAPT
SCHEMBL27880853 0.90 ATM (0.60) ALDH1A1RAB9AATMGAATHRB
Hydrochloric Acid SCHEMBL27463681 0.89 FPR2 (0.57) FPR2ALDH1A1RAB9APPARGMAPT
Hydrochloric Acid SCHEMBL27463682 0.89 FPR2 (0.57) FPR2ALDH1A1RAB9APPARGMAPT
SCHEMBL5608554 0.87 IDO1 (0.56) FPR2ALDH1A1RAB9AMAPTATM
SCHEMBL5608557 0.87 IDO1 (0.56) FPR2ALDH1A1RAB9AMAPTATM
SCHEMBL5608756 0.87 ATM (0.62) ALDH1A1RAB9AATMGAATHRB
SCHEMBL5608758 0.87 ATM (0.62) ALDH1A1RAB9AATMGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521354-B Method for synthesizing polypeptide compound by using visible light oxidation-reduction catalyzed carbon-hydrogen amination reaction 深圳市图微安创科技开发有限公司 2024-09-27 CN claimed
CN-115521354-B Method for synthesizing polypeptide compound by using visible light oxidation-reduction catalyzed carbon-hydrogen amination reaction 深圳市图微安创科技开发有限公司 2024-09-27 CN disclosed
CN-115521354-A Method for synthesizing polypeptide compound through carbon-hydrogen amination reaction catalyzed by visible light oxidation reduction 深圳市图微安创科技开发有限公司 2022-12-27 CN disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed