SCHEMBL11417474

SCHEMBL11417474

COC(OC(C)=O)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ MAPT P10636 5/20 0.42
▸ NR1I2 O75469 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL11422645 0.86 PTGS1 (0.42) TDP1HSD17B10LMNAL3MBTL1PTGS1
Water SCHEMBL11419837 0.85 TDP1 (0.50) TDP1HSD17B10LMNAL3MBTL1MAPT
SCHEMBL11415377 0.85 ALDH1A1 (0.46) TDP1HSD17B10LMNAL3MBTL1PTGS1
Trifluoroacetic Acid SCHEMBL11417942 0.85 TDP1 (0.48) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL8867412 0.83 TDP1 (0.53) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL8867421 0.83 TDP1 (0.53) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL9481794 0.83 TDP1 (0.55) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL9481784 0.83 TDP1 (0.55) TDP1HSD17B10LMNAL3MBTL1CTDSP1
SCHEMBL11745051 0.83 PTGS1 (0.47) TDP1HSD17B10LMNAL3MBTL1PTGS1
SCHEMBL10890522 0.82 TDP1 (0.44) TDP1HSD17B10LMNAL3MBTL1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182868-A 7-Methoxycephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 — — US disclosed
US-4145540-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-20 — — US disclosed
US-4008246-A Aminothiazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-15 — — US disclosed
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