SCHEMBL8921032

SCHEMBL8921032

CC(CCN(C)c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35

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
SCHEMBL3550509 0.74 L3MBTL1 (0.40) L3MBTL1KDM4EATMALDH1A1OPRD1
SCHEMBL31369757 0.73 KIF11 (0.47) KMT2AL3MBTL1PPARG
SCHEMBL1317427 0.73 ADRA2B (0.51) MEN1KMT2AL3MBTL1OPRK1KCNH2
SCHEMBL29110818 0.72 L3MBTL1 (0.41) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16210255 0.72 MEN1 (0.47) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL16210253 0.72 MEN1 (0.47) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL9773231 0.71 KDM4E (0.46) KMT2AL3MBTL1KDM4EATMALDH1A1
SCHEMBL8921038 0.71 L3MBTL1 (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL10429884 0.71 PPARG (0.46) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL16188322 0.70 MEN1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MMP2

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-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed