SCHEMBL27345580

SCHEMBL27345580

O=C(O)COC(=O)CCl.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
PAM P19021 3/20 0.43
CTH P32929 1/20 0.38
CBS P35520 1/20 0.38
THPO P40225 1/20 0.38
THRB P10828 1/20 0.36
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
CYP2C9 P11712 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL7021063 0.97
SCHEMBL11763865 0.78 PAM (0.58) TSHRPAMCTHCBSTHPO
SCHEMBL9749117 0.77 PAM (0.52) TSHRPAMCTHCBSTHPO
SCHEMBL27879538 0.77 TSHR (0.30) TSHR
SCHEMBL1560067 0.76 PAM (0.50) TSHRPAMCTHCBSTHPO
SCHEMBL4629796 0.76
SCHEMBL11684407 0.76 PAM (0.45) TSHRPAMCTHCBSTHPO
SCHEMBL5317672 0.76 PAM (0.50) TSHRPAMCTHCBSTHPO
SCHEMBL94604 0.75 PAM (0.60) TSHRPAMCTHCBSTHPO
SCHEMBL4323711 0.75 PAM (0.48) TSHRPAMCTHCBSTHPO

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
CN-1046437-A STABLE BIODEGRADABLE FOAM AQUALON CO (US) 1990-10-31 CN disclosed