SCHEMBL22079664

SCHEMBL22079664

CCN(CC)C(=O)OCC(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ LMNA P02545 4/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47

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) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL22079648 0.84 KMT2A (0.43) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL22079647 0.83 NPC1 (0.53) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL22079984 0.81 ALDH1A1 (0.48) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL20055247 0.78 HPGD (0.58) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL11757716 0.78 ALDH1A1 (0.62) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL22079662 0.76 KDM4E (0.53) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL28052056 0.75 L3MBTL1 (0.56) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL11801259 0.74 RAB9A (0.62) RAB9AHPGDNPC1LMNAL3MBTL1
SCHEMBL15396003 0.73 RAB9A (0.57) RAB9AHPGDNPC1LMNAL3MBTL1

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
Send feedback