SCHEMBL9670707

SCHEMBL9670707

C[CH]c1c(C(=O)O)cc(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 8/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
PKM P14618 1/20 0.42
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7541938 0.79 ALDH1A1 (0.43) TPMTCA12CA1CA2CA7
SCHEMBL22882559 0.77 CA12 (0.41) TPMTCA12CA1CA2CA7
SCHEMBL3097749 0.73 TPMT (0.56) TPMTCA12CA1CA2CA7
SCHEMBL4322338 0.73 TPMT (0.55) TPMTCA12CA1CA2CA7
Fluoride SCHEMBL11641082 0.71 TPMT (0.54) TPMTCA12CA1CA2CA7
SCHEMBL6516789 0.71 CA12 (0.44) TPMTCA12CA1CA2CA7
SCHEMBL8861085 0.71 PLA2G2A (0.42) TP53MAPTTSHR
SCHEMBL29659433 0.70 CA12 (0.48) TPMTCA12CA1CA2CA7
SCHEMBL23503 0.70 CA12 (0.48) TPMTCA12CA1CA2CA7
SCHEMBL2728246 0.70 CA12 (0.59) TPMTCA12CA1CA2CA7

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