SCHEMBL28045857

SCHEMBL28045857

CC(C)OC(=O)NC[C@@H](O)Cc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ANPEP P15144 1/20 0.41
HTT P42858 5/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL28320994 0.82 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1ANPEP
SCHEMBL15067896 0.80 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL19254537 0.80 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL28045844 0.80 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL28322144 0.79 HPGD (0.41) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL27719421 0.77 TSHR (0.42) SMN1; SMN2NPC1ALDH1A1KMT2AMEN1
SCHEMBL28045877 0.76 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL19254523 0.73 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL18802104 0.73 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL28321127 0.72 ADRB2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189450-A Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same BIO PHARM SOLUTIONS CO LTD 2015-12-23 CN claimed
CN-105189450-B Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same 比皮艾思药物研发有限公司 2019-09-13 CN disclosed
CN-105189450-A Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same BIO PHARM SOLUTIONS CO LTD 2015-12-23 CN disclosed