SCHEMBL27672213

SCHEMBL27672213

CC(C)C(CCC(=O)N1CCOCC1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.48
▸ FKBP1A P62942 3/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL6286462 0.78 CYP2C19 (0.53) MAPTFKBP1AKMT2ATDP1RAB9A
SCHEMBL9551409 0.76 RAB9A (0.51) MAPTFKBP1AKMT2ATDP1RAB9A
SCHEMBL14139306 0.75 MAPT (0.52) MAPTKMT2ATDP1RAB9APOLB
SCHEMBL5126103 0.75 MAPT (0.52) MAPTRAB9APOLBAKR1C3PHGDH
SCHEMBL5126112 0.75 MAPT (0.52) MAPTRAB9APOLBAKR1C3PHGDH
SCHEMBL1115881 0.73 CYP1A2 (0.64) KMT2ARAB9ANPC1POLBAKR1C3
SCHEMBL12196232 0.73 MAPT (0.47) MAPTFKBP1ARAB9APOLBAKR1C3
SCHEMBL28575185 0.72 ALDH1A1 (0.68) FKBP1AKMT2ARAB9ANPC1POLB
SCHEMBL6021876 0.72 KMT2A (0.43) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL7342708 0.71 MAPT (0.52) MAPTKMT2ARAB9APOLBAKR1C3

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-1897931-A Inhibitors of cathepsin s IRM LLC (BM) 2007-01-17 — — CN disclosed
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