SCHEMBL22793353

SCHEMBL22793353

CC[C@H](C)COC(=O)Nc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
MTNR1B P49286 1/20 0.48
CRHBP P24387 1/20 0.48

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
SCHEMBL22550572 1.00 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22550502 1.00 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22793106 0.87 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL20718178 0.86 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22550530 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL22550493 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL22550562 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL20718372 0.84 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL20717850 0.84 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22550489 0.83 LMNA (0.57) SMN1; SMN2RAB9ANPC1HPGDCYP1A2

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
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed