SCHEMBL8024189

SCHEMBL8024189

CCCO[C@H]1CC[C@H](COc2cc(F)c(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KAT6A Q92794 3/20 0.33
SCN9A Q15858 2/20 0.33
PPARD Q03181 4/20 0.32
FFAR1 O14842 3/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL8026098 0.95 PARP10 (0.35) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8022362 0.93 PLA2G2A (0.34) ACACBPARP10PARP15KAT6A
SCHEMBL8022517 0.91 ACACB (0.38) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8022521 0.91 ACACB (0.38) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8005534 0.89 PARP10 (0.37) PARP10PARP15KAT6ASCN9APPARD
SCHEMBL8005328 0.88 TRPV4 (0.41) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8005326 0.88 TRPV4 (0.41) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8014442 0.88 PARP10 (0.38) ACACBPARP10PARP15KAT6ASCN9A
SCHEMBL8014445 0.88 PARP10 (0.38) ACACBPARP10PARP15KAT6ASCN9A
SCHEMBL8016978 0.88 PARP10 (0.41) PARP10PARP15NPC1RAB9AKAT6A

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