SCHEMBL8723315

SCHEMBL8723315

CCC=CCCCC(=O)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP19A1 P11511 4/20 0.57
PPARG P37231 4/20 0.57
F7 P08709 3/20 0.57
F3 P13726 3/20 0.57
KMT2A Q03164 3/20 0.57
PPARD Q03181 3/20 0.57
PPARA Q07869 3/20 0.57
ADORA3 P0DMS8 2/20 0.57
PTGS1 P23219 2/20 0.57
OXER1 Q8TDS5 2/20 0.57
RXRA P19793 1/20 0.57
NR1I2 O75469 2/20 0.50
PTGS2 P35354 2/20 0.50
PGR P06401 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 3/20 0.48
FAAH O00519 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL8723311 1.00 ALDH1A1 (0.57) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL16503993 0.87 ALDH1A1 (0.74) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL18179278 0.86 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL9283283 0.84 ALDH1A1 (0.66) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL8720727 0.84 FAAH (0.46) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL8720724 0.84 FAAH (0.46) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL9283288 0.84 ALDH1A1 (0.66) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL11847846 0.83 FAAH (0.70) CYP19A1PPARGF7F3KMT2A
SCHEMBL28575816 0.83 FAAH (0.65) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL11847839 0.83 FAAH (0.70) CYP19A1PPARGF7F3KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783169-A RADIOIMMUNOCONJUGATED; DIAGNOSTIC AND THERAPY BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 1998-07-21 US claimed
JP-51138663-A None JP disclosed
US-5783169-A RADIOIMMUNOCONJUGATED; DIAGNOSTIC AND THERAPY BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 1998-07-21 US disclosed
JP-S51138663-A PROCESS FOR PREPARIN G ENDO-TRICYCLO )5.2.2.0 2.,6) UNDECA-8-EN-9-ONE KAO CORP 1976-11-30 JP disclosed