SCHEMBL4820719

SCHEMBL4820719

CCCCCC(F)C(F)COc1ccccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 2/20 0.44
▸ LIPG Q9Y5X9 1/20 0.42
▸ ENPP2 Q13822 2/20 0.40
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL29953651 0.77 LIPE (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL9345806 0.76 LTA4H (0.49) PPARGLMNANR1I2CHRM2CYP3A4
SCHEMBL7888472 0.76 LPL (0.44) LIPGENPP2MAPK1
SCHEMBL29953962 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL29957829 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL14988714 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL29957484 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL29954947 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL7632353 0.76 LIPG (0.56) LIPELIPGENPP2MEN1KMT2A
SCHEMBL29952115 0.75 LIPE (0.58) LIPELIPGENPP2MEN1KMT2A

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
US-7462427-B2 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2008-12-09 — — US disclosed
US-20040206933-A1 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2004-10-21 — — US disclosed
WO-2003024903-A1 LIQUID CRYSTAL COMPOUNDS WITH BRANCHED OR CYCLIC END GROUPS QINETIQ LIMITED (GB) 2003-03-27 — — WO disclosed
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