SCHEMBL6203544

SCHEMBL6203544

CC(C)COC(=O)C(C(F)F)(C1CC2C=CC1C2)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6202685 0.83 TSHR (0.32) NPC1TSHRRAB9AGAAMAPK1
SCHEMBL6203729 0.71 NPC1 (0.33) NPC1TSHRRAB9A
SCHEMBL948252 0.69 ALDH1A1 (0.46) NPC1TSHRRAB9AMAPK1
SCHEMBL14492538 0.68 ALDH1A1 (0.37) RAB9A
SCHEMBL22986534 0.65 KDM4E (0.37) RAB9AMAPK1
SCHEMBL4398284 0.64 KDM4E (0.33)
SCHEMBL25689244 0.64 KDM4E (0.36) RAB9AMAPK1
SCHEMBL12128652 0.64 KDM4E (0.36) RAB9AMAPK1
SCHEMBL22883585 0.64 KDM4E (0.36) RAB9AMAPK1
SCHEMBL11908618 0.64 ALDH1A1 (0.49) NPC1TSHRRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP disclosed
US-20040126695-A1 Fluorinated polymers HONEYWELL INTERNATIONAL, INC. 2004-07-01 US disclosed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO disclosed