SCHEMBL19976667

SCHEMBL19976667

CC(=O)OCC1O[C@H](NC(=O)[C@]23CCC(C)(C)CC2C2=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)CC3)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.63
▸ EGLN2 Q96KS0 1/20 0.63
▸ EGLN1 Q9GZT9 1/20 0.63
▸ EGLN3 Q9H6Z9 1/20 0.63
▸ P4HTM Q9NXG6 1/20 0.63
▸ F3 P13726 4/20 0.59
▸ POLB P06746 3/20 0.59
▸ PTPN2 P17706 3/20 0.59
▸ PSMB11 A5LHX3 2/20 0.59
▸ PSMA7 O14818 2/20 0.59
▸ AKR1B10 O60218 2/20 0.59
▸ PLA2G1B P04054 2/20 0.59
▸ PTPRC P08575 2/20 0.59
▸ PTPRF P10586 2/20 0.59
▸ PSMB1 P20618 2/20 0.59
▸ CES1 P23141 2/20 0.59
▸ ACP1 P24666 2/20 0.59
▸ PSMA1 P25786 2/20 0.59
▸ PSMA2 P25787 2/20 0.59
▸ PSMA3 P25788 2/20 0.59

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
SCHEMBL17030505 1.00 PTPN1 (0.63) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976690 1.00 PTPN1 (0.63) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976685 1.00 PTPN1 (0.63) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976666 0.94 PTPN1 (0.63) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976658 0.90 F3 (0.60) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL17030504 0.89 PTPN1 (0.59) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL17133032 0.89 F3 (0.65) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL17030490 0.86 F3 (0.59) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976686 0.84 PTPN1 (0.59) PTPN1EGLN2EGLN1EGLN3P4HTM
SCHEMBL19976668 0.82 F3 (0.73) PTPN1EGLN2EGLN1EGLN3P4HTM

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-9920088-B2 Triterpene derivative and its anti-influenza use University of Macao (CN) 2018-03-20 — — US disclosed
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