SCHEMBL20746352

SCHEMBL20746352

CCCCCCCCCCCCCCCCCCCCCC(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 4/20 0.56
TSHR P16473 3/20 0.56
DNM1 Q05193 2/20 0.52
CA2 P00918 3/20 0.52
OPRM1 P35372 1/20 0.50
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 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
SCHEMBL28302263 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9092266 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL14125873 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1116216 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL20746322 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4354477 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL3689153 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL6011969 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL6011884 1.00 ALDH1A1 (0.59) ALDH1A1TDP1LMNACYP3A4TSHR
Potassium SCHEMBL29838772 0.97 ALDH1A1 (0.56) ALDH1A1TDP1LMNACYP3A4TSHR

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-3668957-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF University of Delaware (US) 2020-06-24 EP claimed
WO-2019036663-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2019-02-21 WO claimed
EP-3668957-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF University of Delaware (US) 2020-06-24 EP disclosed
WO-2019036663-A1 FURAN BASED COMPOSITIONS AND METHODS OF MAKING THEREOF UNIVERSITY OF DELAWARE (US) 2019-02-21 WO disclosed