SCHEMBL11055004

SCHEMBL11055004

CSC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3ccco3)[C@@H]2SC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ SPOP O43791 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL11055001 1.00 ABCC4 (0.48) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10643585 0.90 TDP1 (0.56) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10643588 0.90 TDP1 (0.56) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10644360 0.87 TDP1 (0.40) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10644366 0.87 TDP1 (0.40) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10897232 0.87 KCNH2 (0.39) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10646029 0.87 KCNH2 (0.50) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10646020 0.87 KCNH2 (0.50) ABCC4PDE4AHSD17B10TDP1ALDH1A1
SCHEMBL10646054 0.85 TDP1 (0.53) ABCC4HSD17B10TDP1ALDH1A1NR1I2
SCHEMBL10646060 0.85 TDP1 (0.53) ABCC4HSD17B10TDP1ALDH1A1NR1I2

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-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
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