SCHEMBL4440358

SCHEMBL4440358

OCCOCCc1[c]cccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL22729274 0.74 CTSK (0.35) AR
SCHEMBL27899134 0.73 IDO1 (0.36) MEN1KMT2A
SCHEMBL11067597 0.71 HSD11B1 (0.35)
SCHEMBL8177689 0.71 SLC6A2 (0.33) AR
SCHEMBL9300967 0.70 IDO1 (0.31)
SCHEMBL7157390 0.70 HSD11B1 (0.39)
SCHEMBL455346 0.70 NOS3 (0.33) MAPK1
SCHEMBL27966056 0.69 CTNNB1 (0.30)
SCHEMBL10732721 0.69 KCNH2 (0.39)
SCHEMBL7945398 0.68 CYP2C19 (0.41) LMNACYP1A2CYP2C9CYP2C19AR

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
EP-2120896-A1 MEDICALLY ACTIVE PLASTER Drossapharm Ag (CH) 2009-11-25 EP disclosed
WO-2008083508-A1 MEDICALLY ACTIVE PLASTER DROSSAPHARM AG (CH) 2008-07-17 WO disclosed