SCHEMBL8394285

SCHEMBL8394285

O=C(O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
FFAR3 O14843 1/20 0.38
TSHR P16473 2/20 0.37
AKR1C1 Q04828 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.31

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
Cyclohexane SCHEMBL3743723 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL25741 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL28909826 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL517831 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL11214274 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL518477 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL5509416 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL466149 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL20679048 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL10850627 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2

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
EP-0664351-B1 POLYESTER FIBER KURARAY CO (JP) 1999-06-02 EP disclosed