SCHEMBL14693097

SCHEMBL14693097

C=C(C)C1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](N)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.80
▸ GPBAR1 Q8TDU6 5/20 0.80
▸ PTPN1 P18031 2/20 0.80
▸ RORC P51449 2/20 0.80
▸ GLI1 P08151 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ ALB P02768 2/20 0.80
▸ USP2 O75604 1/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ AKR1B10 O60218 1/20 0.80
▸ POLB P06746 1/20 0.80
▸ AKR1B1 P15121 1/20 0.80
▸ DPP4 P27487 1/20 0.80
▸ SAE1 Q9UBE0 1/20 0.80
▸ UBA2 Q9UBT2 1/20 0.80
▸ RELA Q04206 1/20 0.71
▸ PRKCG P05129 1/20 0.71
▸ CES2 O00748 2/20 0.70
▸ CES1 P23141 2/20 0.70
▸ F3 P13726 1/20 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
SCHEMBL13259806 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL14374394 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL13285629 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL13259775 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL14398791 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL5452263 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL13285520 1.00 NT5E (0.80) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL13908797 0.93 RORC (0.73) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL17128775 0.89 RORC (0.71) NT5EGPBAR1PTPN1RORCGLI1
SCHEMBL17128777 0.89 RORC (0.71) NT5EGPBAR1PTPN1RORCGLI1

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-8372808-B2 Suppression of glial fibrillary acidic protein WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-02-12 — — US disclosed
Send feedback