SCHEMBL9876480

SCHEMBL9876480

C[CH]CC/C=C(\C)CCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
PTPN1 P18031 2/20 0.55
SQLE Q14534 5/20 0.41
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
SNCA P37840 1/20 0.37
PDE3A Q14432 1/20 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
SCHEMBL9876481 1.00 KDM1A (0.57) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL2579524 0.88 KDM1A (0.71) KDM1APTPN1SQLEKMT2A
SCHEMBL27785652 0.85 KDM1A (0.62) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL11388757 0.84 KDM1A (0.67) KDM1APTPN1SQLEKMT2A
SCHEMBL11388752 0.84 KDM1A (0.67) KDM1APTPN1SQLEKMT2A
SCHEMBL11055723 0.82 KDM1A (0.60) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL30408456 0.82 KDM1A (0.60) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL11055722 0.82 KDM1A (0.60) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL8907996 0.80 KDM1A (0.57) KDM1APTPN1SQLEKMT2APTGS1
SCHEMBL9876482 0.80 KDM1A (0.57) KDM1APTPN1SQLEKMT2APTGS1

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