SCHEMBL16704682

SCHEMBL16704682

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.72
CES2 O00748 1/20 0.72
CES1 P23141 1/20 0.72
PTPN1 P18031 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
AKR1B10 O60218 1/20 0.58
ALB P02768 1/20 0.58
POLB P06746 1/20 0.58
GLI1 P08151 1/20 0.58
AKR1B1 P15121 1/20 0.58
NT5E P21589 1/20 0.58
DPP4 P27487 1/20 0.58
RORC P51449 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58

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
SCHEMBL16704695 1.00 F3 (0.72) F3CES2CES1PTPN1USP2
SCHEMBL12134013 1.00 F3 (0.72) F3CES2CES1PTPN1USP2
SCHEMBL16705023 1.00 F3 (0.72) F3CES2CES1PTPN1USP2
SCHEMBL16704681 0.93 F3 (0.62) F3CES2CES1USP2LMNA
SCHEMBL12558298 0.92 PTPN1 (0.70) F3PTPN1USP2LMNAHIF1A
SCHEMBL12593102 0.92 PTPN1 (0.70) F3PTPN1USP2LMNAHIF1A
SCHEMBL16704691 0.92 F3 (0.69) F3CES2CES1PTPN1USP2
SCHEMBL16995362 0.92 PTPN1 (0.70) F3PTPN1USP2LMNAHIF1A
SCHEMBL5534963 0.92 PTPN1 (0.70) F3PTPN1USP2LMNAHIF1A
SCHEMBL19415219 0.92 PTPN1 (0.70) F3PTPN1USP2LMNAHIF1A

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
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 US disclosed
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 US disclosed