SCHEMBL14344383

SCHEMBL14344383

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCG P05129 2/20 0.80
▸ NT5E P21589 9/20 0.77
▸ PTPN1 P18031 3/20 0.77
▸ GLI1 P08151 2/20 0.77
▸ USP2 O75604 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ AKR1B10 O60218 1/20 0.77
▸ ALB P02768 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ AKR1B1 P15121 1/20 0.77
▸ DPP4 P27487 1/20 0.77
▸ RORC P51449 1/20 0.77
▸ GPBAR1 Q8TDU6 1/20 0.77
▸ SAE1 Q9UBE0 1/20 0.77
▸ UBA2 Q9UBT2 1/20 0.77
▸ PRKCD Q05655 1/20 0.76
▸ CETP P11597 1/20 0.74
▸ RELA Q04206 1/20 0.69

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
SCHEMBL15713556 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL3787219 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL3776971 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL17124241 0.93 PRKCG (0.70) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL17128856 0.93 GPBAR1 (0.78) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL12154489 0.92 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL23626136 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL12330536 0.91 PRKCG (0.68) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL10214498 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL10214450 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2

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
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
Send feedback