SCHEMBL16490706

SCHEMBL16490706

CC1CCC(COc2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.41
PARP15 Q460N3 3/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 5/20 0.40
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KAT6A Q92794 2/20 0.36
PARP2 Q9UGN5 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
SCHEMBL15181006 0.95 PARP10 (0.39) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL10014161 0.91 HPGD (0.39) PARP10PARP15HPGDSCN9A
SCHEMBL17548007 0.88 PARP10 (0.40) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL9111879 0.86 PARP10 (0.41) PARP10PARP15SCN9APDE2APDE10A
SCHEMBL9111876 0.86 PARP10 (0.41) PARP10PARP15SCN9APDE2APDE10A
SCHEMBL8022958 0.85 PARP10 (0.41) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL8022960 0.85 PARP10 (0.41) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL15181101 0.85 HPGD (0.44) PARP10PARP15HPGDPARP2
SCHEMBL31276 0.84 PARP10 (0.38) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL14444655 0.84 PARP10 (0.38) PARP10PARP15HPGDSCN9APDE2A

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-10351771-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-07-16 US disclosed
US-20150048276-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
US-20150048276-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-19 US disclosed