SCHEMBL8014773

SCHEMBL8014773

CCCCCC[C@H]1CC[C@H](COc2ccc(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.46
PARP15 Q460N3 2/20 0.46
SCN9A Q15858 2/20 0.44
TRPV4 Q9HBA0 3/20 0.43
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM1A O60341 1/20 0.36
LSS P48449 1/20 0.35
HTR4 Q13639 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL8014739 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8018324 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8013704 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8016221 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8018331 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8016225 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8014735 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8013701 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8014778 1.00 PARP10 (0.46) PARP10PARP15SCN9ATRPV4CRBN
SCHEMBL8018613 0.99 PARP10 (0.47) PARP10PARP15SCN9ATRPV4CRBN

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