SCHEMBL8024815

SCHEMBL8024815

CCCCC[C@H]1CC[C@H](COc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
SCN9A Q15858 2/20 0.37
KAT6A Q92794 2/20 0.34
PTGES O14684 2/20 0.33
TOP2A P11388 1/20 0.33
THRB P10828 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
FFAR1 O14842 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8024818 1.00 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022361 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8021099 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022595 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022776 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022365 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022772 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8021100 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022599 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES
SCHEMBL8022671 0.99 PARP10 (0.37) PARP10PARP15SCN9AKAT6APTGES

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
US-6149990-A Carboxylate derivatives comprising an ether group and liquid crystal composition comprising the same CHISSO CORPORATION (JP) 2000-11-21 US disclosed
EP-0884302-A1 CARBOXYLIC ESTER DERIVATIVES CONTAINING ETHER GROUP AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1998-12-16 EP disclosed