SCHEMBL18879239

SCHEMBL18879239

C=C(C)CCC/C(C)=C/CCC(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PTPN1 P18031 2/20 0.33
SQLE Q14534 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GSK3B P49841 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18879114 0.84 KDM1A (0.38) KDM1APTPN1SQLEGSK3B
SCHEMBL2737163 0.83 KDM1A (0.32) KDM1APTPN1FNTAFNTB
SCHEMBL7790081 0.83 KDM1A (0.32) KDM1APTPN1FNTAFNTB
SCHEMBL27533627 0.83 KDM1A (0.57) KDM1APTPN1SQLE
SCHEMBL29740736 0.83 KDM1A (0.32) KDM1APTPN1FNTAFNTB
SCHEMBL2072561 0.80
SCHEMBL8024948 0.80
SCHEMBL19480634 0.79 KDM1A (0.37) KDM1AFNTAFNTBALOX15TSHR
SCHEMBL18879204 0.79 KDM1A (0.45) KDM1ASQLE
SCHEMBL13384077 0.79 KDM1A (0.45) KDM1AFNTAFNTB

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-2682746-B1 Methods for the diagnosis of ovarian cancer health states and risk of ovarian cancer health states PHENOMENOME DISCOVERIES INC (CA) 2017-05-24 EP disclosed