SCHEMBL8670207

SCHEMBL8670207

CCOCCCCCC(OC(=O)c1ccc2cc(O)ccc2c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL8670203 1.00 EPHX2 (0.34) EPHX2TRPV1KDM4EALDH1A1CYP2C9
SCHEMBL9222667 0.89 PNLIP (0.40) SMN1; SMN2
SCHEMBL8378800 0.89 PNLIP (0.40) SMN1; SMN2
SCHEMBL8082379 0.89 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8979680 0.89 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL8082375 0.89 ESR1 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6937088 0.88 PNLIP (0.39) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL8610807 0.86 ESR1 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8081657 0.82 CA12 (0.35) KDM4EALDH1A1
SCHEMBL6933707 0.82 CA12 (0.35) KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10324666-A None JP disclosed
JP-H10324666-A NAPHTHALENE-BASED LIQUID CRYSTAL COMPOUND MITSUBISHI GAS CHEM CO INC 1998-12-08 JP disclosed