SCHEMBL8960035

SCHEMBL8960035

CCCCC/C=C\C/C=C\CCCCCCCCc1cn(CCCC(=O)O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.60
OXER1 Q8TDS5 2/20 0.59
ICMT O60725 1/20 0.54
ALDH1A1 P00352 5/20 0.51
PPARG P37231 5/20 0.51
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
PPARD Q03181 4/20 0.51
PPARA Q07869 4/20 0.51
FFAR1 O14842 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP19A1 P11511 2/20 0.51
FABP4 P15090 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
PTGS1 P23219 2/20 0.51
AKR1C3 P42330 2/20 0.51
NR4A2 P43354 2/20 0.51

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
SCHEMBL8959981 0.88 CNR1 (0.51) CDC25AOXER1ICMTALDH1A1PPARA
SCHEMBL14459557 0.83 CDC25A (0.77) CDC25AOXER1ICMTALDH1A1KDM4E
SCHEMBL8143904 0.82 CDC25A (0.74) CDC25AOXER1ICMTALDH1A1KDM4E
SCHEMBL8959785 0.80 CNR2 (0.54) CDC25A
SCHEMBL8959779 0.80 CNR2 (0.54) CDC25A
SCHEMBL8959955 0.80 CNR2 (0.54) CDC25A
SCHEMBL8959961 0.80 CNR2 (0.54) CDC25A
SCHEMBL8960132 0.80 CNR2 (0.54) CDC25A
SCHEMBL8960139 0.80 CNR2 (0.54) CDC25A
SCHEMBL10967590 0.78 CDC25A (0.66) CDC25AICMT

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
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed