SCHEMBL8021700

SCHEMBL8021700

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(C(=O)Oc4cc(F)c(C#N)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.47
PARP15 Q460N3 2/20 0.47
SCN9A Q15858 2/20 0.46
LSS P48449 1/20 0.37
FFAR1 O14842 4/20 0.36
PPARD Q03181 4/20 0.36
TRPV4 Q9HBA0 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CRBN Q96SW2 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
SCHEMBL8014371 0.97 PARP10 (0.50) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8014373 0.97 PARP10 (0.50) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8018635 0.94 PARP10 (0.46) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8016477 0.93 PARP10 (0.45) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8014461 0.92 PARP10 (0.49) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8016068 0.91 PARP10 (0.48) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8016070 0.91 PARP10 (0.48) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8018329 0.91 PARP10 (0.50) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8017097 0.90 PARP10 (0.47) PARP10PARP15SCN9ALSSFFAR1
SCHEMBL8017096 0.90 PARP10 (0.47) PARP10PARP15SCN9ALSSFFAR1

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