SCHEMBL11730705

SCHEMBL11730705

CC(C)(c1ccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1ccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CDC25A P30304 1/20 0.56
CDC25B P30305 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SRD5A2 P31213 4/20 0.53
KDM4E B2RXH2 1/20 0.50
SIRT1 Q96EB6 1/20 0.47
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXRB P28702 2/20 0.43
RXRA P19793 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.41
LTC4S Q16873 2/20 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
SCHEMBL11023998 0.93 TDP1 (0.59) TDP1POLBL3MBTL1CDC25ACDC25B
Bisphenol A SCHEMBL5923275 0.92 TDP1 (0.73) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL7052040 0.87 CDC25A (0.57) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL7045921 0.85 TDP1 (0.84) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL30754379 0.85 TDP1 (0.84) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL29440676 0.85 TDP1 (0.84) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL203260 0.85 TDP1 (0.84) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL9329773 0.84 TDP1 (0.66) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL1098811 0.83 TDP1 (0.54) TDP1POLBL3MBTL1CDC25ACDC25B
SCHEMBL29393207 0.83 TDP1 (0.54) TDP1POLBL3MBTL1CDC25ACDC25B

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-4002645-A Bis aromatic anhydrides RAYCHEM CORPORATION (US) 1977-01-11 US disclosed