SCHEMBL9666776

SCHEMBL9666776

O=C(CC(Cc1ccccc1)C(=O)O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 8/20 0.52
▸ ANPEP P15144 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.50
▸ ERAP1 Q9NZ08 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ CPB1 P15086 1/20 0.48
▸ CPA3 P15088 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.48
▸ ITGA4 P13612 1/20 0.47
▸ ITGB7 P26010 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CTSL P07711 1/20 0.46

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
SCHEMBL9668197 0.83 HTT (0.46) RAB9A
SCHEMBL7141466 0.83 CYP1A2 (0.67) CPA1ANPEPERAP2ERAP1RAB9A
SCHEMBL8716892 0.83 RAB9A (0.61) RAB9AMEN1KMT2ANPC1
SCHEMBL9668220 0.81 RAB9A (0.49) RAB9AMEN1KMT2ANPC1
SCHEMBL9668153 0.81 RAB9A (0.46) RAB9ANPC1
SCHEMBL7642680 0.80 RAB9A (0.56) RAB9AMEN1KMT2ANPC1
SCHEMBL9666561 0.80 HTR2A (0.52) RAB9A
SCHEMBL11123380 0.79 CPA1 (0.62) CPA1ANPEPERAP2ERAP1CPB1
SCHEMBL10436410 0.78 CPA1 (0.57) CPA1ANPEPERAP2ERAP1RAB9A
SCHEMBL7400156 0.78 ITGA4 (0.55) RAB9AITGA4ITGB7MEN1KMT2A

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 10 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-4956358-A ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS AND ISOCEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 — — US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 — — US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 — — US 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-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 — — EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 — — EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 — — EP disclosed
CN-86102923-A The method for preparing antibiotic derivatives — 1986-11-12 — — CN disclosed
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