SCHEMBL8514874

SCHEMBL8514874

COC(=O)C1C(=O)CCC2C(C)(C)CCCC12C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PNLIP P16233 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GGPS1 O95749 1/20 0.37
FDPS P14324 1/20 0.37
MMP2 P08253 1/20 0.37
CYP19A1 P11511 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
PLA2G2A P14555 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL30585215 1.00 PTPN2 (0.43) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL9609154 1.00 PTPN2 (0.43) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL30585217 1.00 PTPN2 (0.43) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL8512015 0.85 PTPN2 (0.41) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL30585220 0.84 PTPN1 (0.54) PTPN2PTPN1PNLIPGGPS1FDPS
SCHEMBL25396197 0.84 PTPN2 (0.46) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL30585222 0.84 PTPN2 (0.46) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL30585225 0.84 PTPN2 (0.46) PTPN2PTPN1PNLIPTSHRALDH1A1
SCHEMBL10178195 0.79 TSHR (0.33) TSHRALDH1A1HTTGAAMAPT
SCHEMBL30585218 0.78 NR1H2 (0.45) PTPN1PNLIPTSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170955-A2 Process for the preparation of (+/-)-3a-6,6,9a-tetramethylperhydronaphto[2,1-b]furan FIRMENICH SA (CH) 1986-02-12 EP claimed
WO-2012069647-A1 NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES GIVAUDAN SA (CH) 2012-05-31 WO disclosed
EP-0170955-B1 Process for the preparation of (+/-)-3a-6,6,9a-tetramethylperhydronaphto[2,1-b]furan FIRMENICH SA (CH) 1992-01-08 EP disclosed
US-4677233-A Process for the preparation of (±)-3a-6,6,9a-tetramethylperhydronaphto[2,]furan FIRMENICH SA (CH) 1987-06-30 US disclosed
US-4633011-A INTERMEDIATES FOR THE 1-(2-HYDROXYETHYL)-2,5,5,8, INTERMEDIATES FOR THE 1-(2-HYDROXYETHYL)-2,5,5,8, -TETRAMETHYLPERHYDRONAPHTHALEN-2-OL STARTING MATERIAL FIRMENICH SA (CH) 1986-12-30 US disclosed
US-4613710-A CYCLIZATION OF 1B-(2-HYDROXYETHYL)-PERHYDRO-2,5,5,82B-TETRAMETHYL-2B-TRANS-NAPHTHALENOL FIRMENICH SA (CH) 1986-09-23 US disclosed
EP-0170955-A2 Process for the preparation of (+/-)-3a-6,6,9a-tetramethylperhydronaphto[2,1-b]furan FIRMENICH SA (CH) 1986-02-12 EP disclosed