SCHEMBL8088870

SCHEMBL8088870

COC(=O)c1ccc2c(c1)C(n1cccc([N+](=O)[O-])c1=O)C(O)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
VCAM1 P19320 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 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
SCHEMBL8090277 0.85 ABCC9 (0.49) ABCC9KMT2AMEN1MAPTALDH1A1
SCHEMBL8085148 0.85 ABCC9 (0.42) ABCC9MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL7269286 0.83 KMT2A (0.38) KMT2AMEN1VCAM1MAPTALDH1A1
SCHEMBL7269439 0.81 ABCC9 (0.44) ABCC9LMNACYP1A2CYP2D6CYP2C9
SCHEMBL7267316 0.81 ABCC9 (0.59) ABCC9LMNACYP1A2CYP2D6CYP2C9
SCHEMBL7291313 0.78 ABCC9 (0.54) ABCC9KMT2AMEN1MAPTALDH1A1
SCHEMBL8088872 0.77 ABCC9 (0.47) ABCC9KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10697493 0.77 ABCC9 (0.40) ABCC9KMT2AMEN1MAPTLMNA
SCHEMBL8090116 0.76 ABCC9 (0.46) ABCC9LMNACYP1A2CYP2D6CYP2C9
SCHEMBL10695898 0.75 ABCC9 (0.49) ABCC9LMNACYP1A2CYP2D6CYP2C9

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed