SCHEMBL11619320

SCHEMBL11619320

CCOC(=O)/C=C/COc1cc2c(=O)cc(C(=O)OCC)[nH]c2ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL11619326 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11615297 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11615285 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11615457 0.77 RAB9A (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11615455 0.77 RAB9A (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11614839 0.76 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9724289 0.76 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11618739 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11613679 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11619396 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10POLB

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-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US claimed
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