SCHEMBL20009805

SCHEMBL20009805

COC(COCc1ccccc1)C(OCc1ccccc1)C(C)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
KMT2A Q03164 1/20 0.46
HTT P42858 4/20 0.45
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TACR1 P25103 3/20 0.40
CYP2C19 P33261 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
SCHEMBL19356136 0.89 KMT2A (0.49) RCE1KMT2AHTTMAPTTSHR
SCHEMBL19356374 0.89 KMT2A (0.49) RCE1KMT2AHTTMAPTTSHR
SCHEMBL23989405 0.87 KMT2A (0.45) RCE1KMT2AHTTMAPTTSHR
SCHEMBL20889066 0.84 KMT2A (0.42) RCE1KMT2AHTTMAPTTSHR
SCHEMBL24465142 0.83 RCE1 (0.40) RCE1KMT2AHTTMAPTTSHR
SCHEMBL24052031 0.83 RCE1 (0.40) RCE1KMT2AHTTMAPTTSHR
SCHEMBL14429243 0.80 KMT2A (0.42) RCE1KMT2AHTTMAPTTSHR
SCHEMBL14429222 0.80 KMT2A (0.42) RCE1KMT2AHTTMAPTTSHR
SCHEMBL18661849 0.80 RCE1 (0.51) RCE1KMT2AHTTMAPTTSHR
SCHEMBL29913755 0.80 RCE1 (0.51) RCE1KMT2AHTTMAPTTSHR

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
WO-2018053706-A1 COMPOSITION COMPRISING PAEONIFLORIN OR ALBIFLORIN ANALOGUE, METHOD OF PREPARATION THEREOF L'OREAL (FR) 2018-03-29 WO disclosed