SCHEMBL9876591

SCHEMBL9876591

[CH2]C(C)CC=C(C)CCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
KDM1A O60341 1/20 0.49
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
SNCA P37840 1/20 0.40
PDE3A Q14432 1/20 0.40
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9876588 1.00 PTPN1 (0.55) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL6907167 0.79 PTPN1 (0.58) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL6907169 0.79 PTPN1 (0.58) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL17824275 0.77 PTPN1 (0.51) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL17824276 0.77 PTPN1 (0.51) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL21558804 0.77 PTPN1 (0.51) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL163911 0.77 PTPN1 (0.85) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL27785652 0.77 KDM1A (0.62) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL163912 0.77 PTPN1 (0.85) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL23728386 0.75 PTPN1 (0.58) PTPN1KDM1APTGS1PDE4ASNCA

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-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed