SCHEMBL464417

SCHEMBL464417

CC(C)CCOC(=O)CCN1CCCC(C2CC(C3CCCN(CCC(=O)OCCC(C)(C)C)CC3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ ARG1 P05089 1/20 0.30
▸ ARG2 P78540 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10074652 0.84 CYP19A1 (0.35) ALDH1A1TSHRSMN1; SMN2TP53L3MBTL1
SCHEMBL13510862 0.82 SMN1; SMN2 (0.35) ALDH1A1TSHRSMN1; SMN2TP53ARG1
SCHEMBL13730325 0.80 SMN1; SMN2 (0.33) ALDH1A1TSHRSMN1; SMN2TP53ARG1
SCHEMBL12863834 0.76 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2TP53L3MBTL1
SCHEMBL12844635 0.74 CYP19A1 (0.41) ALDH1A1TSHRSMN1; SMN2TP53L3MBTL1
SCHEMBL12181288 0.73 CHRM1 (0.33) ALDH1A1TSHRSMN1; SMN2TP53ARG1
SCHEMBL19036251 0.73 SMN1; SMN2 (0.40) ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL13510873 0.73 SMN1; SMN2 (0.34) ALDH1A1TSHRSMN1; SMN2TP53ARG1
SCHEMBL12009951 0.71 ARG1 (0.31) SMN1; SMN2ARG1ARG2
SCHEMBL12863838 0.71 TP53 (0.47) ALDH1A1TSHRSMN1; SMN2TP53KDM4E

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-20120065358-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-15 — — US disclosed
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