SCHEMBL28825191

SCHEMBL28825191

C=C(C)C(=O)OCCCOC(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
HPGD P15428 3/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
NPC1 O15118 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MGLL Q99685 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL28825192 0.95 HPGD (0.57) RAB9AHPGDLMNASMN1; SMN2CYP1A2
SCHEMBL28825189 0.84 L3MBTL1 (0.57) RAB9AHPGDLMNASMN1; SMN2CYP1A2
SCHEMBL28949534 0.82 RAB9A (0.54) RAB9AHPGDLMNASMN1; SMN2CYP1A2
SCHEMBL1087332 0.81 NPC1 (0.60) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL13310473 0.79 ELANE (0.51) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL13310472 0.78 HTT (0.51) RAB9ALMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL28825176 0.78 ELANE (0.51) LMNAL3MBTL1TDP1HTTMAPT
SCHEMBL2034715 0.77 HPGD (0.51) RAB9AHPGDLMNASMN1; SMN2CYP1A2
SCHEMBL10015772 0.75 PKM (0.51) RAB9AHPGDLMNASMN1; SMN2CYP1A2
Benzophenone SCHEMBL29144652 0.75 ELANE (0.56) RAB9AHPGDLMNAL3MBTL1TDP1

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-114805133-A Aryl chloroformate preparation method 苏州星日化学有限公司 2022-07-29 CN disclosed