SCHEMBL11337101

SCHEMBL11337101

O=[C]OC(C(=O)OCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAOB P27338 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ AKR1C3 P42330 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
SCHEMBL10334788 0.85 RAB9A (0.50) RAB9AALDH1A1NPC1MAPTTDP1
SCHEMBL17049358 0.84 RAB9A (0.45) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL11195351 0.83 RAB9A (0.48) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL11200759 0.82 RAB9A (0.54) RAB9AALDH1A1NPC1MAPTTDP1
SCHEMBL6645015 0.74 RAB9A (0.61) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL8716892 0.74 RAB9A (0.61) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL6151831 0.74 RAB9A (0.61) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL10334892 0.73 RAB9A (0.57) RAB9AALDH1A1KMT2AMAPTMAOB
SCHEMBL8533970 0.73 IDO1 (0.53) RAB9AALDH1A1MAPTMAOBIDO1
SCHEMBL9976430 0.73 ALDH1A1 (0.55) RAB9AALDH1A1MAPTMAOBIDO1

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
EP-0053072-A1 Oxacephalosporins and their preparation RHONE-POULENC SANTE (FR) 1982-06-02 — — EP disclosed
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