SCHEMBL9119436

SCHEMBL9119436

CCCCOCCOC(F)(Oc1ccc(OC(=O)c2ccc(OCC(C)Cl)cc2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RARB P10826 2/20 0.40
TSHR P16473 2/20 0.40
PLA2G4B P0C869 1/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL8542604 0.90 PRSS1 (0.42) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL8542044 0.79 RARB (0.46) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL8544730 0.75 RARB (0.41) NPC1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL14131711 0.71 NPC1 (0.67) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL27740551 0.70 LMNA (0.74) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL11646532 0.70 LMNA (0.74) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL11658648 0.69 LMNA (0.58) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL9482816 0.69 RARB (0.59) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL9482808 0.69 RARB (0.59) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL9696291 0.68 RARB (0.62) PRSS1ACRLMNANPC1CYP1A2

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-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed