SCHEMBL20108920

SCHEMBL20108920

CCC(=O)O/C=C(\C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ELANE P08246 1/20 0.43
RAB9A P51151 6/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL4901552 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDELANE
SCHEMBL12449495 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDELANE
SCHEMBL4901564 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDELANE
SCHEMBL14606186 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL17589162 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9409165 0.74 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL9409169 0.74 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL14156176 0.73 RAB9A (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL14156028 0.73 CES2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL14177027 0.73 KMT2A (0.52) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1

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
US-20180127590-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-10 US disclosed
US-20180119061-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2018-05-03 US disclosed