SCHEMBL11628654

SCHEMBL11628654

[CH]=C(Cl)C(O)C(C)(C)Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 6/20 0.40
▸ VNN1 O95497 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ P2RX1 P51575 1/20 0.34

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
SCHEMBL11610243 0.86 PPARG (0.40) CETPF10
SCHEMBL11614514 0.84 OGG1 (0.38) POLBKCNH2
SCHEMBL11616008 0.81 LMNA (0.35) LMNA
SCHEMBL11623635 0.78 CETP (0.41) CETPVNN1LMNAPOLBF10
SCHEMBL11610467 0.75 CASR (0.35) —
SCHEMBL3147185 0.73 GPR3 (0.50) CETPSLC22A12MPI
SCHEMBL6764359 0.71 KCNH2 (0.44) CETPF10SLC22A12KCNH2SCN10A
SCHEMBL5270292 0.70 KCNH2 (0.47) CETPF10SLC22A12KCNH2SCN10A
SCHEMBL1047410 0.68 CETP (0.46) CETP
SCHEMBL14536898 0.68 CETP (0.46) CETP

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-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
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