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SCHEMBL8904408

SCHEMBL8904408

c1ccc2cc3cc4cc5cc6cc7cc8c(ccc9cc%10cc%11cc%12cc%13cc%14cc%15cccc(C(OC(c%16cccc%17cc%18cc%19cc%20cc%21cc%22cc%23ccc%24cc%25cc%26cc%27cc%28cc%29cc%30ccccc%30cc%29cc%28cc%27cc%26cc%25cc%24c%23cc%22cc%21cc%20cc%19cc%18cc%16%17)C%16CO%16)C%16CO%16)c%15cc%14cc%13cc%12cc%11cc%10cc98)cc7cc6cc5cc4cc3cc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL1893357 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2
SCHEMBL8847091 0.76 TRPM4 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL2271173 0.72 SLC6A3 (0.48) CYP1A2
SCHEMBL1700175 0.70 ADRA2A (0.43) ALDH1A1CYP1A2
SCHEMBL31127473 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL15063036 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29975167 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25966 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL190685 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL30087026 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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-5683627-A NONCRACKING TOKUYAMA CORPORATION (JP) 1997-11-04 — — US disclosed