SCHEMBL6563804

SCHEMBL6563804

CCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)O[C@H](C)CC(CC)CC)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
ELANE P08246 1/20 0.35
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
ESR1 P03372 2/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
SLC22A2 O15244 1/20 0.32
TMPRSS2 O15393 1/20 0.32

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
SCHEMBL6547169 0.92 ALDH1A1 (0.40) KMT2AALDH1A1ELANEPRSS1TMPRSS15
SCHEMBL6547930 0.88 MAPT (0.37) KMT2AALDH1A1PRSS1TMPRSS15TSHR
SCHEMBL7789237 0.85 ALDH1A1 (0.46) KMT2AALDH1A1PRSS1TSHRKDM4E
SCHEMBL6562349 0.84 MAPT (0.42) KMT2APRSS1TMPRSS15RAB9AMAPT
SCHEMBL6562110 0.84 KMT2A (0.42) KMT2AALDH1A1BCL9CTNNB1PRSS1
SCHEMBL6563808 0.83 RARB (0.39) ALDH1A1ELANEALOX15
SCHEMBL6560993 0.82 KMT2A (0.44) KMT2AALDH1A1BCL9CTNNB1ELANE
SCHEMBL7796053 0.81 ALDH1A1 (0.46) KMT2AALDH1A1PRSS1TSHRRAB9A
SCHEMBL7798766 0.81 ALDH1A1 (0.46) KMT2AALDH1A1PRSS1TSHRRAB9A
SCHEMBL7797623 0.81 ALDH1A1 (0.46) KMT2AALDH1A1PRSS1TSHRRAB9A

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-1225212-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-03-24 EP disclosed
US-6677475-B2 FOR USE IN LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-01-13 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed