SCHEMBL9979963

SCHEMBL9979963

CC=CCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR2 P41597 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HCRTR2 O43614 3/20 0.32
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL9480895 1.00 USP5 (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL8517975 0.92 ESR2 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL14280896 0.88 USP5 (0.33) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476534 0.87 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476554 0.87 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476541 0.87 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476548 0.87 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476544 0.87 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL18708399 0.86 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL13790844 0.86 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C

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-8168083-B2 Electro-optical light control element, electro-optical display and control medium MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-01 US disclosed
US-20100188630-A1 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-29 US disclosed