SCHEMBL9668153

SCHEMBL9668153

O=C(CC(Sc1ccccc1)C(=O)O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9666928 0.85 RAB9A (0.46) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL9666776 0.81 CPA1 (0.52) RAB9ANPC1
SCHEMBL9668220 0.80 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL10389223 0.79 ALDH1A1 (0.41) RAB9AMAPTALDH1A1HTR2ATDP1
SCHEMBL8716892 0.78 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL9666561 0.78 HTR2A (0.52) RAB9AALDH1A1HTR2AHTT
SCHEMBL7642680 0.76 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL9666201 0.76 HTT (0.47) RAB9AMAPTALDH1A1HTR2AL3MBTL1
SCHEMBL9668140 0.75 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL9668145 0.75 RAB9A (0.47) RAB9ANPC1MAPTALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 — — EP claimed
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 — — EP disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 — — US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 — — EP disclosed
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