SCHEMBL12204305

SCHEMBL12204305

Fc1cccc(C(F)(F)F)c1COCCNC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.42
▸ FOXM1 Q08050 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GNRHR P30968 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL12204763 0.81 FOXM1 (0.46) FOXM1EPHX2KDM4EALDH1A1SMN1; SMN2
SCHEMBL12204203 0.77 FOXM1 (0.49) OPRL1FOXM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12204106 0.76 IDO1 (0.48) OPRL1FOXM1KDM4E
SCHEMBL12204080 0.74 FOXM1 (0.42) OPRL1FOXM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18677297 0.73 EPHX2 (0.48) OPRL1EPHX2ALDH1A1LMNASMN1; SMN2
SCHEMBL12204207 0.70 FOXM1 (0.68) FOXM1KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL19055379 0.70 SLC6A2 (0.39) KDM4EALDH1A1SMN1; SMN2GNRHR
SCHEMBL12204109 0.69 OPRL1 (0.50) OPRL1FOXM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21722976 0.68 SLC6A4 (0.42) —
Hydrochloric Acid SCHEMBL7018005 0.67 FOXM1 (0.68) FOXM1KDM4EALDH1A1SMN1; SMN2CYP1A2

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 — — EP disclosed
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