SCHEMBL11051189

SCHEMBL11051189

CCCCC(=O)OCC(I)=C(Br)I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.50
DGKA P23743 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11051185 1.00 PAM (0.50) PAMDGKAL3MBTL1SMN1; SMN2TSHR
SCHEMBL11052932 0.95 PAM (0.58) PAMDGKATSHRMAPTLMNA
SCHEMBL11052935 0.95 PAM (0.58) PAMDGKATSHRMAPTLMNA
SCHEMBL11050270 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11060334 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11060331 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11058321 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11058322 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11050269 0.93 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL11058254 0.89 ALDH1A1 (0.43) PAMDGKAL3MBTL1SMN1; SMN2TSHR

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-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed