SCHEMBL8682632

SCHEMBL8682632

CCOC(=O)c1ccc2[nH]nc(CCCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ HSD17B10 Q99714 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CCNB2 O95067 1/20 0.45

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
SCHEMBL9461253 0.78 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL9485928 0.78 HCRTR1 (0.52) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL9485199 0.76 HCRTR1 (0.50) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL8684069 0.75 RAB9A (0.46) ALDH1A1MAPTMEN1KMT2AHSD17B10
Oxalic Acid SCHEMBL9484406 0.75 HCRTR1 (0.49) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL9798916 0.73 TDP1 (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8681986 0.72 KDM4E (0.60) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL6386416 0.71 SMN1; SMN2 (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL11749690 0.71 HCRTR1 (0.58) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL9798847 0.71 GAA (0.64) ALDH1A1MAPTMEN1KMT2ANPSR1

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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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