SCHEMBL18879321

SCHEMBL18879321

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
KDM1A O60341 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
LSS P48449 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SNCA P37840 1/20 0.33
PDE3A Q14432 1/20 0.33
SQLE Q14534 2/20 0.33

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
SCHEMBL3376001 0.88 LSS (0.40) KDM1AMAPTLSSSPHK1SQLE
SCHEMBL3375999 0.88 LSS (0.40) KDM1AMAPTLSSSPHK1SQLE
SCHEMBL1658396 0.88 KDM1A (0.41) PTPN1KDM1ALSSSQLE
SCHEMBL1658397 0.88 KDM1A (0.41) PTPN1KDM1ALSSSQLE
SCHEMBL18879142 0.85 OPRM1 (0.47) PTPN1KDM1AACE2LSSALDH1A1
SCHEMBL8978484 0.85 PTPN1 (0.67) PTPN1KDM1AALOX15PTGS1PDE4A
SCHEMBL8978488 0.85 PTPN1 (0.67) PTPN1KDM1AALOX15PTGS1PDE4A
SCHEMBL8978516 0.85 ALOX15 (0.52) PTPN1KDM1AMAPTALDH1A1ALOX15
SCHEMBL8978519 0.85 ALOX15 (0.52) PTPN1KDM1AMAPTALDH1A1ALOX15
SCHEMBL18879102 0.83 PTPN1 (0.44) PTPN1KDM1AACE2TRPA1DDAH1

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