SCHEMBL9670437

SCHEMBL9670437

[CH2]CCCCCc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.43
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.38
FOLH1 Q04609 1/20 0.38
RARB P10826 2/20 0.36

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
SCHEMBL9671387 0.93 KDM4E (0.42) SLC16A3KDM4ETSHRFOLH1RARB
SCHEMBL9670835 0.86 KDM4E (0.44) SLC16A3KDM4ETSHRFOLH1
SCHEMBL27680196 0.85 SLC16A3 (0.44) SLC16A3KDM4ETSHRFOLH1RARB
SCHEMBL28132719 0.84 RARB (0.54) TSHRRARB
SCHEMBL28206854 0.84 RARB (0.54) TSHRRARB
SCHEMBL27960002 0.82 SLC16A3 (0.43) SLC16A3KDM4ETSHRFOLH1
SCHEMBL27293125 0.82 RARB (0.53) TSHRRARB
SCHEMBL27848001 0.81 RARA (0.45) SLC16A3KDM4ETSHRFOLH1RARB
SCHEMBL28823832 0.81 SLC16A3 (0.46) SLC16A3TSHR
SCHEMBL1356425 0.80 RARB (0.51) TSHRRARB

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