SCHEMBL13988043

SCHEMBL13988043

Cc1ccccc1CCN(CCCCC(=O)c1ccc2c(c1)CC(C)(C)O2)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.35
WNT3A P56704 5/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP2 O75604 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL4857495 0.91 ALDH1A1 (0.33) ALDH1A1LMNATP53MAPTKLF5
SCHEMBL13987983 0.80 NPSR1 (0.47) ALDH1A1MAPTSMN1; SMN2USP2KMT2A
SCHEMBL13988024 0.80 HTR1A (0.43) HDAC3HDAC1HDAC2
SCHEMBL13988010 0.80 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2USP2KMT2A
SCHEMBL4860892 0.79 ALDH1A1 (0.37) CTNNB1WNT3AALDH1A1LMNATP53
SCHEMBL13988041 0.78 CYP11B1 (0.36) HSP90AA1HSP90AB1
SCHEMBL13988032 0.78 HDAC1 (0.33) CTNNB1WNT3AALDH1A1USP2HPGD
SCHEMBL13988027 0.76 ALDH1A1 (0.43) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL13988037 0.75 HDAC1 (0.32) L3MBTL1HSP90AA1HSP90AB1HDAC3HDAC1
SCHEMBL4857629 0.74 CTNNB1 (0.49) CTNNB1WNT3AALDH1A1LMNATP53

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed