SCHEMBL2510101

SCHEMBL2510101

COc1ccc(C(=O)O)c(-c2ccccc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.51
AKR1C2 P52895 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
PGR P06401 2/20 0.47
CYP2D6 P10635 2/20 0.47
SLC6A2 P23975 2/20 0.47
CYP2C19 P33261 2/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10442500 0.83 HPGD (0.56) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL31449998 0.82 AKR1C3 (0.51) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL6701301 0.81 SMN1; SMN2 (0.63) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL8204969 0.81 RAB9A (0.54) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL3783731 0.80 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL17744851 0.79 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1LMNASLC6A2
SCHEMBL147211 0.79 SMN1; SMN2 (0.54) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL27480738 0.78 AKR1C3 (0.48) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1
SCHEMBL2949879 0.78 KDM4E (0.57) AKR1C3AKR1C2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL1359389 0.77 SMN1; SMN2 (0.62) AKR1C3AKR1C2SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019217-A1 DRY LIPOSOME ADJUVANT-CONTAINING VACCINES AND RELATED METHODS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-16 WO claimed
EP-4384215-A1 DRY POWDER COMPOSITIONS OF OIL-IN-WATER (O/W) EMULSION ADJUVANTED VACCINES Board of Regents, The University of Texas System (US) 2024-06-19 EP disclosed
WO-2023019194-A9 DRY POWDER COMPOSITIONS OF OIL-IN-WATER (O/W) EMULSION ADJUVANTED VACCINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-14 WO disclosed
WO-2023019194-A1 DRY POWDER COMPOSITIONS OF OIL-IN-WATER (O/W) EMULSION ADJUVANTED VACCINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-16 WO disclosed
WO-2023019217-A1 DRY LIPOSOME ADJUVANT-CONTAINING VACCINES AND RELATED METHODS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-16 WO disclosed
EP-2376522-A2 LOW VISCOSITY HIGHLY CONCENTRATED SUSPENSIONS Board of Regents, The University of Texas System (US) 2011-10-19 EP disclosed
WO-2010056657-A2 LOW VISCOSITY HIGHLY CONCENTRATED SUSPENSIONS BOARD OF REGENTS, THE UNIVESITY OF TEXAS SYSTEM (US) 2010-05-20 WO disclosed