Betulin

Betulin

SCHEMBL17749655

C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 1.00
TOP2A P11388 2/20 1.00
USP2 O75604 2/20 1.00
LMNA P02545 2/20 1.00
HIF1A Q16665 2/20 1.00
NT5E P21589 2/20 1.00
RELA Q04206 1/20 1.00
CES2 O00748 2/20 0.74
CES1 P23141 2/20 0.74
RORC P51449 4/20 0.70
ALB P02768 3/20 0.70
AKR1B10 O60218 1/20 0.70
POLB P06746 1/20 0.70
GLI1 P08151 1/20 0.70
AKR1B1 P15121 1/20 0.70
DPP4 P27487 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70
SAE1 Q9UBE0 1/20 0.70
UBA2 Q9UBT2 1/20 0.70
SLC10A1 Q14973 2/20 0.70

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
Betulin SCHEMBL14397735 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL8223535 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL19452465 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL13098066 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL14144235 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL14339169 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL14368529 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL13469520 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL20776118 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL14144210 1.00 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120197-A1 COMBINATIONS OF EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS AND STEROL REGULATORY ELEMENT-BINDING PROTEIN INHIBITORS FOR USES IN CANCER THERAPIES EMORY UNIVERSITY (US) 2022-06-09 WO claimed
US-20230012550-A1 MINERAL OIL-FREE PRESSURE-SENSITIVE ADHESIVE HENKEL AG & CO KGAA (DE) 2023-01-19 US disclosed
WO-2021180558-A1 MINERAL OIL-FREE PRESSURE-SENSITIVE ADHESIVE HENKEL AG & CO. KGAA (DE) 2021-09-16 WO disclosed
EP-3878883-A1 MINERAL OIL-FREE ADHESIVE Henkel AG & Co. KGaA (DE) 2021-09-15 EP disclosed
EP-3218389-A1 EXTENDED BETULINIC ACID ANALOGS VIIV Healthcare UK (No.5) Limited (GB) 2017-09-20 EP disclosed
WO-2016077572-A1 EXTENDED BETULINIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 WO disclosed