SCHEMBL20052742

SCHEMBL20052742

CC1CC(C)(C)N(C(=O)OCc2ccccc2)C(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
P2RX4 Q99571 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11810226 0.82 HTR2C (0.49) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20547110 0.81 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11791763 0.81 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11847386 0.77 CYP3A4 (0.41) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10797345 0.77 ALDH1A1 (0.53) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31346987 0.77 SMN1; SMN2 (0.58) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11847374 0.76 TSHR (0.41) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9573747 0.76 HTR2C (0.49) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14372548 0.76 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10285807 0.75 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2NPC1RAB9AALDH1A1

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-9944623-B2 Sterically hindered amine stabilizer BASF SE (DE) 2018-04-17 US disclosed