SCHEMBL8021673

SCHEMBL8021673

C[C@H]1CC[C@H](COc2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.49
PARP15 Q460N3 5/20 0.49
PARP2 Q9UGN5 2/20 0.49
MAOB P27338 1/20 0.42
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SCN9A Q15858 2/20 0.41
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
KAT6A Q92794 1/20 0.39
ACACA Q13085 2/20 0.39

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
SCHEMBL8021670 1.00 PARP10 (0.49) PARP10PARP15PARP2MAOBHPGD
SCHEMBL8014459 0.91 PARP10 (0.49) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8014458 0.91 PARP10 (0.49) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8021683 0.89 PARP10 (0.45) PARP10PARP15PARP2HPGDFFAR4
SCHEMBL8021681 0.89 PARP10 (0.45) PARP10PARP15PARP2HPGDFFAR4
SCHEMBL8018629 0.88 PARP10 (0.47) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8018627 0.88 PARP10 (0.47) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8013498 0.87 PARP10 (0.46) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8013495 0.87 PARP10 (0.46) PARP10PARP15PARP2MAOBFFAR4
SCHEMBL8005480 0.87 PARP10 (0.55) PARP10PARP15PARP2HPGDFFAR4

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