SCHEMBL9848476

SCHEMBL9848476

CCCCOC(=O)NC(CN)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 1/20 0.53
FAAH O00519 3/20 0.53
GPR88 Q9GZN0 5/20 0.49
CTSK P43235 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9848391 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL844472 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL14040614 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL7454120 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL7789635 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL8121337 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL349655 0.84 FAAH (0.52) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL3630691 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL4385673 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAFAAH
SCHEMBL27648565 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349879-A Synthesis of cyclohexanecarboxamide derivatives useful as sensates in consumer products 宝洁公司 2018-07-31 CN disclosed
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed