SCHEMBL14985353

SCHEMBL14985353

CC[C@]1(C)CC[C@]2(C)C(=CCC3[C@@]4(C)C[C@H](OC)[C@@H](OC(=O)/C=C/c5ccccc5)C(C)(C)C4CC[C@]32C)C1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
ACP1 P24666 1/20 0.53
GYS2 P54840 1/20 0.52
IKBKB O14920 2/20 0.51
PDE4D Q08499 2/20 0.50
PDE5A O76074 1/20 0.50
PDE9A O76083 1/20 0.50
PDE1B Q01064 1/20 0.50

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
SCHEMBL12181444 0.84 PDE4D (0.53) PTPN2PTPN1ACP1GYS2IKBKB
SCHEMBL13629645 0.83 POLB (0.63) PTPN2PTPN1ACP1GYS2PDE4D
SCHEMBL4456335 0.72 POLB (0.61) PTPN2PTPN1ACP1
SCHEMBL4456338 0.72 POLB (0.61) PTPN2PTPN1ACP1
SCHEMBL23790926 0.70 PTPN1 (0.85) PTPN2PTPN1ACP1IKBKB
SCHEMBL6444051 0.69 PTPN1 (0.68) PTPN2PTPN1ACP1IKBKB
SCHEMBL22335213 0.69 PTPN1 (1.00) PTPN2PTPN1ACP1IKBKB
SCHEMBL10014345 0.69 PDE4D (0.74) PTPN2PTPN1ACP1PDE4DPDE5A
SCHEMBL13487370 0.69 PDE4D (0.80) PTPN2PTPN1PDE4DPDE5APDE9A
SCHEMBL24433073 0.69 PDE4D (0.73) PTPN2PTPN1ACP1GYS2PDE4D

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-2013078372-A1 COMPOSITIONS AND METHODS FOR INHIBITING MUSCLE ATROPHY AND INDUCING MUSCLE HYPERTROPHY UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2013-05-30 WO disclosed