SCHEMBL7147196

SCHEMBL7147196

Oc1ccc(C2CCC3(CC2)OCCO3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
QDPR P09417 4/20 0.38
TRPV3 Q8NET8 1/20 0.37
ESR2 Q92731 8/20 0.36
ESR1 P03372 4/20 0.36
ACMSD Q8TDX5 2/20 0.36
KIF11 P52732 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8972310 0.86 TRPV3 (0.39) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL8209225 0.82 IKBKE (0.36) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL31342020 0.82 NPC1 (0.36) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL15729348 0.80 QDPR (0.50) QDPRESR2ESR1ACMSD
SCHEMBL30746608 0.80 QDPR (0.50) QDPRESR2ESR1ACMSD
SCHEMBL31063246 0.79 QDPR (0.43) QDPRESR2ESR1ACMSDKIF11
SCHEMBL1506454 0.79 SLC6A2 (0.47) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL30832447 0.79 HTR2A (0.39) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL1809044 0.78 TRPV3 (0.35) IKBKETBK1TRPV3NPC1RAB9A
SCHEMBL14403053 0.78 ESR2 (0.42) IKBKETBK1TRPV3ESR2ESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983225-B1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 2003-12-17 EP disclosed
US-6395351-B1 MIXTURE; OPTICS ROLIC AG (CH) 2002-05-28 US disclosed
EP-0983225-A1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS Rolic AG (CH) 2000-03-08 EP disclosed
WO-1998052905-A1 NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 1998-11-26 WO disclosed