SCHEMBL17030493

SCHEMBL17030493

CC1(C)CC[C@]2(C(=O)N[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 6/20 0.73
▸ PTPN1 P18031 12/20 0.71
▸ EGLN2 Q96KS0 1/20 0.71
▸ EGLN1 Q9GZT9 1/20 0.71
▸ EGLN3 Q9H6Z9 1/20 0.71
▸ P4HTM Q9NXG6 1/20 0.71
▸ POLB P06746 3/20 0.66
▸ PTPN2 P17706 3/20 0.66
▸ PTPN6 P29350 3/20 0.66
▸ PSMB11 A5LHX3 2/20 0.66
▸ PSMA7 O14818 2/20 0.66
▸ AKR1B10 O60218 2/20 0.66
▸ PLA2G1B P04054 2/20 0.66
▸ PTPRC P08575 2/20 0.66
▸ PTPRF P10586 2/20 0.66
▸ PSMB1 P20618 2/20 0.66
▸ CES1 P23141 2/20 0.66
▸ ACP1 P24666 2/20 0.66
▸ PSMA1 P25786 2/20 0.66
▸ PSMA2 P25787 2/20 0.66

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
SCHEMBL19976668 1.00 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL17133043 1.00 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL19976677 1.00 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL17133032 0.90 F3 (0.65) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL17133031 0.89 PTPN1 (0.65) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL19976678 0.89 PTPN1 (0.65) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL19976676 0.88 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL19976708 0.88 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL17132986 0.88 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3
SCHEMBL17133001 0.88 F3 (0.73) F3PTPN1EGLN2EGLN1EGLN3

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-2910563-A1 TRITERPENE DERIVATIVE AND ITS ANTI-INFLUENZA USE Peking University (CN) 2015-08-26 — — EP disclosed
Send feedback