SCHEMBL28170944

SCHEMBL28170944

CCOC(=O)Nc1ccc(C(C)(C)c2ccc(NC(=O)OCC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ LMNA P02545 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL10165811 0.90 SMN1; SMN2 (0.62) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL9126532 0.89 ESR1 (0.54) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL7565510 0.87 RAB9A (0.71) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL11396210 0.87 RAB9A (0.55) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL10447891 0.87 SMN1; SMN2 (0.63) RAB9ANPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7471768 0.85 MAPT (0.59) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL11790359 0.82 RAB9A (0.65) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL9146676 0.82 LMNA (0.68) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL1719720 0.82 SMN1; SMN2 (0.71) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL7565512 0.82 RAB9A (0.70) RAB9ANPC1HPGDCRHBPCRHR2

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
CN-107207700-A Method for synthesizing polyoxazolidone compound with high stability 科思创德国股份有限公司 2017-09-26 — — CN disclosed
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