SCHEMBL8359094

SCHEMBL8359094

CCCc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.49
PYGM P11217 9/20 0.48
PYGL P06737 8/20 0.48
AR P10275 1/20 0.48
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.44
PPARD Q03181 1/20 0.44
HPSE Q9Y251 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
GALK1 P51570 1/20 0.43
CASP6 P55212 1/20 0.43
MCL1 Q07820 1/20 0.43
PLEC Q15149 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9646863 0.88 POLB (0.49) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL15069734 0.82 POLB (0.49) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL15069733 0.82 POLB (0.49) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL28634306 0.82 POLB (0.61) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL29664286 0.82 POLB (0.65) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL7969637 0.82 POLB (0.65) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL16210182 0.80 POLB (0.42) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL28650646 0.80 POLB (0.63) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL3073043 0.79 POLB (0.62) POLBKDM4EPYGMPYGLALDH1A1
SCHEMBL11406209 0.79 CYP3A4 (0.50) ARALDH1A1PPARDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962608-A LIQUID PHASE; HYDROLYSIS OF AN ORGANOMETALLIC COMPOUND RELIANCE ELECTRIC INDUSTRIAL CO. (US) 1999-10-05 US disclosed
US-5939497-A CLEAR THERMOPLASTIC RESIN COMPOSITIONS INCLUDE A POLYETHERIMIDE RESIN, A FIRST POLYESTER RESIN AND A SECOND POLYESTER RESIN, EXHIBIT RESISTANCE TO ELEVATED TEMPERATURE AND IMPROVED IMPACT PROPERTIES GENERAL ELECTRIC COMPANY (US) 1999-08-17 US disclosed