SCHEMBL8946980

SCHEMBL8946980

CCOC(=O)CC12CCCC(CC1)N2C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
CYP2C19 P33261 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 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
SCHEMBL8947196 0.86 KDM4E (0.45) KDM4ELMNAPOLBPKMMAPT
SCHEMBL26113894 0.80 SMN1; SMN2 (0.49) HTR2CSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14609981 0.76 SMN1; SMN2 (0.54) HTR2CSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL8162245 0.74 CYP2C19 (0.44) SMN1; SMN2CYP2C19
SCHEMBL8172630 0.74 CYP2C19 (0.44) SMN1; SMN2CYP2C19
SCHEMBL5118035 0.74 SMN1; SMN2 (0.50) HTR2CSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL31722609 0.74 MEN1 (0.52) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL7581386 0.73 SMN1; SMN2 (0.51) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL31252092 0.72 ALDH1A1 (0.49) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL978529 0.72 SMN1; SMN2 (0.47) HTR2CPOLBSMN1; SMN2NPC1RAB9A

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
US-5561149-A FOR NASAL ADMINISTRATION SANDOZ LTD. (CH) 1996-10-01 US disclosed