SCHEMBL22079648

SCHEMBL22079648

Bc1ccc(C(=O)COC(=O)N(CC)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ RAB9A P51151 10/20 0.40
▸ NPC1 O15118 9/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 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
SCHEMBL22080295 0.85 NPC1 (0.55) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079664 0.84 RAB9A (0.54) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079647 0.83 NPC1 (0.53) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079984 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079662 0.76 KDM4E (0.53) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL471629 0.73 HPGD (0.61) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079991 0.73 HPGD (0.53) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL22080098 0.72 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22079660 0.71 NPC1 (0.50) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL22080009 0.71 CYP4F2 (0.46) KMT2AMEN1ALDH1A1RAB9ANPC1

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
WO-2020114150-A1 SYNTHESIS METHOD FOR SYNTHESIZING CARBAMATE USING DIMETHYL SULFOXIDE YLIDE, AMINE AND CARBON DIOXIDE 华南理工大学 2020-06-11 — — WO disclosed
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