SCHEMBL9848619

SCHEMBL9848619

CC(C)(C)Oc1ccc(CCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PPARA Q07869 3/20 0.42
F2RL1 P55085 1/20 0.39
PPARG P37231 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPT P10636 3/20 0.37
ACACB O00763 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ELANE P08246 1/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9848686 0.80 PPARA (0.47) KMT2APPARAF2RL1PPARGCYP4F2
SCHEMBL22499185 0.79 TDP1 (0.58) KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL23772470 0.78 TDP1 (0.53) PPARAPPARGCYP4F2CYP4A11MAPT
SCHEMBL10389748 0.77 ALDH1A1 (0.53) KMT2APPARAF2RL1PPARGMAPT
SCHEMBL2789562 0.77 FFAR1 (0.59) PPARALMNAL3MBTL1
SCHEMBL25854966 0.75 LMNA (0.49) PPARAF2RL1PPARGACACBLMNA
SCHEMBL24001439 0.75 PPARA (0.49) PPARAF2RL1PPARGACACBLMNA
SCHEMBL7567700 0.74 APP (0.59) MAPTLMNAALDH1A1HSD17B10
SCHEMBL18082968 0.73 ADRB2 (0.41) KMT2AF2RL1CYP4F2CYP4A11MAPT
SCHEMBL24177401 0.73 ELANE (0.52) KMT2APPARAPPARGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 EP disclosed