SCHEMBL9549801

SCHEMBL9549801

CCc1cccc(OC(F)=C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.42
SOD1 P00441 1/20 0.41
ACHE P22303 5/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6854230 0.80 KMT2A (0.48) ALDH1A1SMN1; SMN2ACHEKMT2AGAA
SCHEMBL8422477 0.78 MAPK1 (0.51) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL9006509 0.77 RAB9A (0.45) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL3339215 0.76 CYP3A4 (0.59) MAPK1L3MBTL1TSHRTDP1SMN1; SMN2
SCHEMBL31525960 0.76 CYP3A4 (0.59) MAPK1L3MBTL1TSHRTDP1SMN1; SMN2
SCHEMBL9314358 0.75 KMT2A (0.66) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL26153362 0.75 ACHE (0.61) MAPK1L3MBTL1TSHRTDP1SMN1; SMN2
SCHEMBL10707893 0.75 MAPK1 (0.47) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL27669395 0.75 KDM4E (0.47) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL14412951 0.75 KDM4E (0.47) MAPK1L3MBTL1TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210265-A Multistage reaction to form monomers for polymers such as polyesters by dimerization of trifluorovinyl compounds by dehalogenation and cyclization THE DOW CHEMICAL COMPANY (US) 1993-05-11 US disclosed
EP-0429618-A1 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1991-06-05 EP disclosed
US-5021602-A Monomers for condensation polymers THE DOW CHEMICAL COMPANY (US) 1991-06-04 US disclosed
WO-1990015044-A2 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1990-12-13 WO disclosed