SCHEMBL4801950

SCHEMBL4801950

CC(C)(C)Oc1ccc(COCC[N+](C)(C)Cc2cnc([C@](O)(c3ccccc3)C3CCCCC3)o2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
CYP19A1 P11511 1/20 0.34
KCNH2 Q12809 5/20 0.33
CHRM3 P20309 5/20 0.33
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SLC6A3 Q01959 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP2D6 P10635 3/20 0.33
APAF1 O14727 2/20 0.33
USP2 O75604 2/20 0.33
ERBB2 P04626 2/20 0.33
TP53 P04637 2/20 0.33
FYN P06241 2/20 0.33
CHRM4 P08173 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL4743392 1.00 LMNA (0.35) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL4743395 1.00 LMNA (0.35) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL4801959 1.00 LMNA (0.35) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL4783605 0.93 CYP19A1 (0.42) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL4783600 0.93 CYP19A1 (0.42) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL1109891 0.92 CHRM2 (0.37) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL1109893 0.92 CHRM2 (0.37) LMNACYP19A1KCNH2CHRM3CHRM2
Bromide SCHEMBL2877676 0.91 CHRM2 (0.36) LMNACYP19A1KCNH2CHRM3CHRM2
Bromide SCHEMBL2877682 0.91 CHRM2 (0.36) LMNACYP19A1KCNH2CHRM3CHRM2
SCHEMBL4783528 0.91 LMNA (0.37) LMNACYP19A1KCNH2CHRM3CHRM2

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO claimed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed