SCHEMBL9248573

SCHEMBL9248573

CC1CCCC(C)(C)C1/C=C/C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 5/20 0.52
CYP1A2 P05177 2/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL9248576 1.00 UGT2B7 (0.52) UGT2B7CYP1A2PTPN2PTPN1
SCHEMBL954542 1.00 UGT2B7 (0.52) UGT2B7CYP1A2PTPN2PTPN1
SCHEMBL954543 1.00 UGT2B7 (0.52) UGT2B7CYP1A2PTPN2PTPN1
SCHEMBL954951 1.00 UGT2B7 (0.52) UGT2B7CYP1A2PTPN2PTPN1
SCHEMBL954950 1.00 UGT2B7 (0.52) UGT2B7CYP1A2PTPN2PTPN1
SCHEMBL9617991 0.86 PTPN2 (0.43) UGT2B7PTPN2PTPN1
SCHEMBL813343 0.86 PTPN2 (0.43) UGT2B7PTPN2PTPN1
SCHEMBL813341 0.86 PTPN2 (0.43) UGT2B7PTPN2PTPN1
SCHEMBL813342 0.86 PTPN2 (0.43) UGT2B7PTPN2PTPN1
SCHEMBL1583053 0.86 PTPN2 (0.43) UGT2B7PTPN2PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456932-B1 Propanol derivatives and perfumes containing the same TAKASAGO PERFUMERY CO LTD (JP) 1995-01-18 EP claimed
EP-0456932-A1 Propanol derivatives and perfumes containing the same Takasago International Corporation (JP) 1991-11-21 EP claimed