SCHEMBL11207883

SCHEMBL11207883

CCCC(=O)OCCCN(CCCOC(=O)CCC)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
CDYL Q9Y232 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RET P07949 1/20 0.38
TOP2A P11388 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

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
O-Xylene SCHEMBL29132905 0.81 TSHR (0.54) ALDH1A1TP53GAALMNATSHR
SCHEMBL11822821 0.79 SMN1; SMN2 (0.47) LTA4HALDH1A1TP53GAASMN1; SMN2
SCHEMBL11825769 0.79 SMN1; SMN2 (0.47) LTA4HALDH1A1TP53GAASMN1; SMN2
SCHEMBL11671513 0.76 ALDH1A1 (0.44) LTA4HALDH1A1TP53SMN1; SMN2PPARG
SCHEMBL3984821 0.75 ALDH1A1 (0.47) ALDH1A1TP53LMNATDP1MEN1
SCHEMBL11835766 0.74 SMN1; SMN2 (0.48) LTA4HALDH1A1TP53GAASMN1; SMN2
O-Xylene SCHEMBL11759073 0.74 MGLL (0.45) ALDH1A1GAASMN1; SMN2LMNATDP1
SCHEMBL25224584 0.73 ALDH1A1 (0.54) ALDH1A1TP53LMNACYP3A4
Lithium Ion SCHEMBL19732789 0.73 ALDH1A1 (0.46) ALDH1A1TP53LMNATDP1MEN1
SCHEMBL21065741 0.73 ALDH1A1 (0.46) ALDH1A1TP53LMNATDP1MEN1

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed