SCHEMBL12840596

SCHEMBL12840596

COCCCNC(=O)CCCCCCC(C)CCCCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
HPGD P15428 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12090657 0.95 TSHR (0.69) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL12934640 0.95 TSHR (0.69) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL4264199 0.95 TSHR (0.69) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL23787581 0.94 TSHR (0.67) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13483552 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL14065638 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL16728765 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13023957 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL12299083 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL13423640 0.90 TSHR (0.61) TSHRHPGDMEN1KMT2AKDM4E

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-7897143-B2 Amphipathic amide lipid, anionic surfactant, and acid or salt; feel, moisture retention, smoothness, stability; shampoo KAO CORPORATION (JP) 2011-03-01 US disclosed