SCHEMBL31039840

SCHEMBL31039840

C=CC(=C)CCC1C(=C)CCC2C(C)(C)CCCC12C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.53
▸ PTPN1 P18031 6/20 0.51
▸ PTPN2 P17706 2/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ RPS6KA5 O75582 2/20 0.44
▸ MAPKAPK2 P49137 2/20 0.44
▸ TAS2R31 P59538 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL873646 1.00 PNLIP (0.53) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL19328296 1.00 PNLIP (0.53) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL25667484 0.86 PNLIP (0.53) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL25666955 0.86 PNLIP (0.53) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL30671350 0.85 POLB (0.67) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL13922321 0.84 PNLIP (0.54) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL25269132 0.82 PNLIP (0.56) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL22874145 0.82 PNLIP (0.56) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL22874291 0.82 PNLIP (0.56) PNLIPPTPN1PTPN2CYP3A4LMNA
SCHEMBL25251393 0.82 PNLIP (0.56) PNLIPPTPN1PTPN2CYP3A4LMNA

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-3429641-B1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2024-07-03 — — EP claimed
Send feedback