SCHEMBL6677414

SCHEMBL6677414

COC1(C)C=CC(C(=O)O)(c2ccccc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
AKR1C1 Q04828 1/20 0.35
TSHR P16473 2/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
HDAC4 P56524 1/20 0.33
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNN4 O15554 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL28890126 0.82 AKR1C1 (0.46) KMT2AHTTAKR1C1TSHRHDAC4
SCHEMBL6676563 0.81 ATM (0.37) KMT2AMEN1HTTAKR1C1TSHR
SCHEMBL6681538 0.78 MEN1 (0.34) KMT2AMEN1HTTAKR1C1TSHR
SCHEMBL6680771 0.78 AKR1C1 (0.37) KMT2AMEN1HTTAKR1C1HCAR3
SCHEMBL6679652 0.76 CES2 (0.36) KMT2AMEN1HTTAKR1C1TSHR
SCHEMBL6639935 0.76 OPRM1 (0.39) KMT2AMEN1HTTAKR1C1HCAR3
SCHEMBL6638824 0.74 MEN1 (0.35) KMT2AMEN1HTTAKR1C1
SCHEMBL6678308 0.74 AKR1C1 (0.34) KMT2AMEN1HTTAKR1C1TSHR
SCHEMBL6677871 0.74 AKR1C1 (0.34) KMT2AMEN1HTTAKR1C1HCAR3
SCHEMBL28472946 0.72 CA1 (0.50) KMT2A

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed