SCHEMBL20245300

SCHEMBL20245300

CC(=O)/C=C/C1C(C)(C)CCCC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
UGT2B7 P16662 5/20 0.37

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
SCHEMBL30706319 0.89 PTPN2 (0.43) PTPN2PTPN1UGT2B7
SCHEMBL956392 0.83 UGT2B7 (0.51) PTPN2PTPN1UGT2B7
SCHEMBL956391 0.83 UGT2B7 (0.51) PTPN2PTPN1UGT2B7
8-Hydroxy-15,16-Bisnor-11-Labden-13-One SCHEMBL20640825 0.76 PTPN2 (0.55) PTPN2PTPN1UGT2B7
SCHEMBL18472139 0.76 EPHX2 (0.38) PTPN2PTPN1
SCHEMBL18472141 0.74 EPHX2 (0.41)
SCHEMBL3681475 0.74 PTPN2 (0.44) PTPN2PTPN1UGT2B7
SCHEMBL3680334 0.74 PTPN1 (0.47) PTPN2PTPN1UGT2B7
SCHEMBL21473199 0.73 PTPN2 (0.35) PTPN2PTPN1
SCHEMBL21473206 0.73 PTPN2 (0.35) PTPN2PTPN1

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-3056247-B1 MALODOR NEUTRALIZING COMPOSITIONS CONTAINING CITRIC ACID AND ALICYCLIC KETONES ROBERTET INC (US) 2018-06-13 EP disclosed