SCHEMBL6202685

SCHEMBL6202685

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6203544 0.83 NPC1 (0.32) TSHRNPC1RAB9AGAAMAPK1
SCHEMBL6203729 0.72 NPC1 (0.33) TSHRNPC1RAB9A
SCHEMBL948252 0.70 ALDH1A1 (0.46) TSHRNPC1RAB9AMAPK1ALDH1A1
SCHEMBL12128652 0.68 KDM4E (0.36) RAB9AMAPK1ALDH1A1TDP1
SCHEMBL22883585 0.68 KDM4E (0.36) RAB9AMAPK1ALDH1A1TDP1
SCHEMBL25689244 0.68 KDM4E (0.36) RAB9AMAPK1ALDH1A1TDP1
SCHEMBL4398284 0.68 KDM4E (0.33) USP2ALDH1A1TDP1
SCHEMBL4262405 0.67 ALDH1A1 (0.35) SMN1; SMN2USP2ALDH1A1TDP1
SCHEMBL3364848 0.66 KDM4E (0.37) USP2ALDH1A1TDP1
SCHEMBL22883305 0.66 TSHR (0.43) TSHRRAB9AGAAMAPK1NR1H3

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

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