SCHEMBL8016159

SCHEMBL8016159

CC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(C(=O)Oc4ccc(C#N)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.48
PARP15 Q460N3 2/20 0.48
TRPV4 Q9HBA0 4/20 0.47
SCN9A Q15858 2/20 0.44
FFAR4 Q5NUL3 1/20 0.38
KDM1A O60341 1/20 0.38
ACACB O00763 1/20 0.36
LSS P48449 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 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
SCHEMBL8013709 0.97 PARP10 (0.51) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8013706 0.97 PARP10 (0.51) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8018306 0.92 PARP10 (0.47) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8018342 0.91 PARP10 (0.45) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8017247 0.90 TRPV4 (0.45) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8013855 0.90 TRPV4 (0.45) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8017248 0.90 TRPV4 (0.45) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8018618 0.90 PARP10 (0.44) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8005513 0.89 PARP10 (0.49) PARP10PARP15TRPV4SCN9AFFAR4
SCHEMBL8005501 0.89 PARP10 (0.49) PARP10PARP15TRPV4SCN9AFFAR4

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