SCHEMBL9628797

SCHEMBL9628797

C=C(C)C(=O)OC1CCC(C(C2CCC(OC(=O)C(=C)C)CC2)(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GPR35 Q9HC97 1/20 0.32
MAPT P10636 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17532375 0.86 HCRTR2 (0.34) ALDH1A1GPR35MAPTAPOBEC3AAPOBEC3G
SCHEMBL14559889 0.85 MAPT (0.33) ALDH1A1GPR35MAPTAPOBEC3AAPOBEC3G
SCHEMBL75055 0.85 ALDH1A1 (0.31) ALDH1A1GPR35MAPTAPOBEC3AAPOBEC3G
SCHEMBL9610635 0.84 MAPT (0.33) ALDH1A1GPR35MAPTAPOBEC3AAPOBEC3G
SCHEMBL372980 0.82 ALDH1A1 (0.46) ALDH1A1GPR35
SCHEMBL342182 0.82 ALDH1A1 (0.46) ALDH1A1GPR35
SCHEMBL25278 0.82
SCHEMBL439526 0.81 MAPT (0.46) ALDH1A1MAPTAPOBEC3AAPOBEC3GKDM4E
SCHEMBL22799034 0.81 MAPT (0.46) ALDH1A1MAPTAPOBEC3AAPOBEC3GKDM4E
SCHEMBL28508307 0.81 MAPT (0.46) ALDH1A1MAPTAPOBEC3AAPOBEC3GKDM4E

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-0279462-B1 4,4'-(PERFLUOROISOPROPYLIDENE)DICYCLOHEXANOL, DERIVATIVE THEREOF AND PROCESS FOR PREPARING THE SAME DAIKIN INDUSTRIES, LIMITED (JP) 1992-05-13 EP disclosed
US-4788327-A CURABLE RESINS AND CROSSLINKING AGENTS DAIKEN INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed