SCHEMBL11835764

SCHEMBL11835764

CCCC(=O)OC(CC)N(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL11827569 0.88 ALDH1A1 (0.40) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11825761 0.84 TP53 (0.43) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11821127 0.83 KCNH2 (0.45) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11822816 0.82 TP53 (0.45) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL16594997 0.78 ALDH1A1 (0.38) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11825771 0.77 TP53 (0.42) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11829445 0.74 KCNH2 (0.40) TP53TSHRALDH1A1GLASLC6A2
SCHEMBL11653002 0.73 TP53 (0.44) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11825775 0.72 TP53 (0.41) TP53SMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11829272 0.72 TP53 (0.40) TP53SMN1; SMN2TSHRALDH1A1GLA

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
Send feedback