SCHEMBL6137035

SCHEMBL6137035

COc1ccc(CCCCC(C)=O)cc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7847132 0.89 RAB9A (0.58) HTTKDM4EMITFALDH1A1RAB9A
SCHEMBL344964 0.84 PPARG (0.54) HTTKDM4EMITFALDH1A1RAB9A
SCHEMBL5182644 0.81 PLAAT3 (0.58) KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL585819 0.80 FFAR4 (0.60) HTTKDM4EMITFALDH1A1RAB9A
SCHEMBL14935243 0.80 IGF1R (0.47) ALOX5
SCHEMBL15022767 0.80 TUBB4A (0.48) HTTKDM4EMITFALDH1A1CYP1A2
SCHEMBL584597 0.80 TNKS2 (0.51) HTTKDM4EMITFALDH1A1LMNA
SCHEMBL28733753 0.80 KDM4E (0.56) KDM4ELMNAMAPK1CYP1A2CYP3A4
SCHEMBL1979399 0.80 HTT (0.53) HTTKDM4EMITFALDH1A1RAB9A
SCHEMBL11222002 0.80 PPARG (0.54) HTTKDM4EMITFALDH1A1

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-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO disclosed