SCHEMBL16995362

SCHEMBL16995362

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(CC[C@H]4C3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.70
ALB P02768 2/20 0.70
GPBAR1 Q8TDU6 2/20 0.70
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.70
HIF1A Q16665 1/20 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
NT5E P21589 1/20 0.70
DPP4 P27487 1/20 0.70
RORC P51449 1/20 0.70
SAE1 Q9UBE0 1/20 0.70
UBA2 Q9UBT2 1/20 0.70
EGLN2 Q96KS0 1/20 0.65
EGLN1 Q9GZT9 1/20 0.65
EGLN3 Q9H6Z9 1/20 0.65
P4HTM Q9NXG6 1/20 0.65
TRPV1 Q8NER1 1/20 0.62

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
SCHEMBL5534963 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL12558298 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL19415219 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL12593102 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL15918172 0.94 GPBAR1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL15917888 0.93 GPBAR1 (0.62) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16705023 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL12134013 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16704695 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16704682 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA

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
EP-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed