SCHEMBL9828213

SCHEMBL9828213

C=C(COC(=O)CCCCCCCBr)COC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.61
DGKA P23743 1/20 0.56
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.49
LMNA P02545 4/20 0.47
DNM1 Q05193 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
PRKCA P17252 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
FAAH O00519 1/20 0.42

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
SCHEMBL9828168 1.00 PAM (0.61) PAMDGKATSHRMAPTLMNA
SCHEMBL9828212 0.91 DGKA (0.51) PAMDGKATSHRMAPTLMNA
SCHEMBL9828178 0.91 DGKA (0.51) PAMDGKATSHRMAPTLMNA
SCHEMBL9828308 0.90 PAM (0.50) PAMDGKATSHRMAPTLMNA
SCHEMBL9829213 0.90 PAM (0.50) PAMDGKATSHRMAPTLMNA
SCHEMBL9829208 0.90 PAM (0.50) PAMDGKATSHRMAPTLMNA
SCHEMBL9828118 0.87 PAM (0.48) PAMDGKATSHRFAAH
SCHEMBL9828525 0.87 PAM (0.48) PAMDGKATSHRFAAH
SCHEMBL9827743 0.87 PAM (0.48) PAMDGKATSHRFAAH
SCHEMBL9828423 0.87 PAM (0.48) PAMDGKATSHRFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247201-B1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1991-05-15 EP disclosed
US-4945098-A Novel propane-1,3-diol derivatives and use LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-07-31 US disclosed
EP-0247201-A1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-02 EP disclosed
WO-1987003281-A1 PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-04 WO disclosed