SCHEMBL9620602

SCHEMBL9620602

FC(F)(F)C(F)(F)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EPHX1 P07099 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA1 P00915 2/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33

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
SCHEMBL1725786 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL24225714 0.67 EPHX1 (0.43) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL7778173 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL50080 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL7775102 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL1222189 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1SMN1; SMN2CYP3A4
SCHEMBL5501650 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL272103 0.67 ALDH1A1 (0.45) ALDH1A1HSD17B10PDK1PDK2PDK3
Water SCHEMBL5430832 0.65 ALDH1A1 (0.43) ALDH1A1HSD17B10PDK1PDK2PDK3
SCHEMBL11522538 0.65 ALDH1A1 (0.43) ALDH1A1HSD17B10PDK1PDK2PDK3

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-0296661-B1 SINGLE-PHASE COMPOSITION CONTAINING A PERFLUORINATED OIL AND ONE OR MORE SURFACTANT(S), USEFUL AS AN EXCIPIENT FOR COSMETIC AND DERMATOLOGIC FORMULATIONS, AS WELL AS FOR BIOMEDICAL APPLICATIONS ENIRICERCHE S.p.A. (IT) 1992-01-22 EP disclosed
US-4942179-A ISOTROPIC OR ANISOTROPIC FORMULATION AND FLUOROPHOSPHATE SURFACTANTS ENIRICHERCHE S.P.A. (IT) 1990-07-17 US disclosed
EP-0296661-A2 Single-phase composition containing a perfluorinated oil and one or more surfactant(s), useful as an excipient for cosmetic and dermatologic formulations, as well as for biomedical applications ENIRICERCHE S.p.A. (IT) 1988-12-28 EP disclosed