SCHEMBL29626875

SCHEMBL29626875

C[C@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.59
F10 P00742 5/20 0.58
HSD11B1 P28845 2/20 0.56
PTPN2 P17706 1/20 0.54
CDC25B P30305 1/20 0.54
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
SELP P16109 1/20 0.42
CYP2C9 P11712 1/20 0.42
PAX8 Q06710 1/20 0.41
MMP2 P08253 1/20 0.40
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
RPA1 P27694 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL2021012 1.00 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL2021014 1.00 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL30997030 0.87 PTPN1 (0.59) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL17027695 0.81 HSD11B1 (0.57) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL3513520 0.81 HSD11B1 (0.57) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29552568 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29404708 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29366469 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL29421727 0.80 PTPN1 (0.41) PTPN1F10HSD11B1PTPN2CDC25B
SCHEMBL3490260 0.80 F10 (0.66) PTPN1F10HSD11B1PTPN2CDC25B

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-4003324-A1 INHIBITORS OF ANTIBIOTIC RESISTANCE MEDIATED BY ARN T Università degli Studi di Roma "La Sapienza" (IT) 2022-06-01 EP claimed