SCHEMBL9670352

SCHEMBL9670352

[CH2]CCCCc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.61
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
RARA P10276 1/20 0.59
MAPT P10636 1/20 0.59
MTOR P42345 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
TBXAS1 P24557 2/20 0.47
HDAC1 Q13547 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLA2G4B P0C869 1/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL9100795 0.98 RARB (0.62) RARBALDH1A1MEN1RARAMAPT
SCHEMBL5328858 0.94 RARB (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL371605 0.89 RARB (0.71) RARBALDH1A1MEN1RARAMAPT
SCHEMBL30053056 0.87 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL15583704 0.87 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28873230 0.87 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9472454 0.87 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL4814685 0.85 ALDH1A1 (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL133470 0.85 RARB (0.68) RARBALDH1A1MEN1RARAMAPT
SCHEMBL1980515 0.83 RARB (0.65) RARBALDH1A1MEN1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed