SCHEMBL8018304

SCHEMBL8018304

CCCCOC1CCC(COc2ccc(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.45
PARP15 Q460N3 1/20 0.45
TRPV4 Q9HBA0 3/20 0.42
SCN9A Q15858 2/20 0.42
CRBN Q96SW2 1/20 0.40
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
ACACB O00763 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM1A O60341 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LSS P48449 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
SCHEMBL8018296 1.00 PARP10 (0.45) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8017227 0.98 PARP10 (0.44) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8017224 0.98 PARP10 (0.44) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8005526 0.97 PARP10 (0.43) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8005524 0.97 PARP10 (0.43) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8005500 0.95 PARP10 (0.46) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8005506 0.95 PARP10 (0.46) PARP10PARP15TRPV4SCN9ACRBN
SCHEMBL8005320 0.91 TRPV4 (0.41) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8014679 0.91 TRPV4 (0.41) PARP10PARP15TRPV4FFAR4KDM1A
SCHEMBL8005322 0.91 TRPV4 (0.41) PARP10PARP15TRPV4SCN9AACACB

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