Sugi Predict

Sugi Predict / Compounds / SCHEMBL9364485

SCHEMBL9364485

SCHEMBL9364485

C=C(CCC(F)(F)F)C(=O)O.CC(=CC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ EPHX2 P34913 3/20 0.31
▸ DPP4 P27487 2/20 0.30

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
SCHEMBL3778927 0.84 ALDH1A1 (0.32) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL8157774 0.83 MEN1 (0.35) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL2531554 0.83 EPHX2 (0.42) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL5864543 0.83 EPHX2 (0.42) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL2029635 0.82 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL26529 0.82 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL21799353 0.82 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL17745706 0.82 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL20357288 0.82 KMT2A (0.39) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL5922012 0.79 EPHX2 (0.34) ALDH1A1LMNAMEN1KMT2ACYP2C19

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-0455585-B1 Unsaturated urea polysiloxanes CIBA GEIGY AG (CH) 1994-03-23 — — EP claimed