Betulinic Acid

Betulinic Acid

SCHEMBL14112364

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CCC3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 1.00
PTPN1 P18031 3/20 1.00
GPBAR1 Q8TDU6 3/20 1.00
ALB P02768 3/20 1.00
GLI1 P08151 2/20 1.00
USP2 O75604 2/20 1.00
LMNA P02545 2/20 1.00
HIF1A Q16665 2/20 1.00
AKR1B10 O60218 1/20 1.00
POLB P06746 1/20 1.00
AKR1B1 P15121 1/20 1.00
NT5E P21589 1/20 1.00
DPP4 P27487 1/20 1.00
SAE1 Q9UBE0 1/20 1.00
UBA2 Q9UBT2 1/20 1.00
EGLN2 Q96KS0 1/20 0.82
EGLN1 Q9GZT9 1/20 0.82
EGLN3 Q9H6Z9 1/20 0.82
P4HTM Q9NXG6 1/20 0.82
CES2 O00748 2/20 0.80

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
Betulinic Acid SCHEMBL13908717 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL14112012 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL7746410 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL10214465 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL9905925 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL23132693 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL13285621 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL22251646 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL21264235 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1
Betulinic Acid SCHEMBL8283294 1.00 RORC (1.00) RORCPTPN1GPBAR1ALBGLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414042-B2 Method and composition for selectively inhibiting melanoma THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-08-19 US disclosed