SCHEMBL9250171

SCHEMBL9250171

C=CCC1CCC(C2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CCR2 P41597 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
USP30 Q70CQ3 1/20 0.34
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 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
SCHEMBL9349590 1.00 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9349604 1.00 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9979962 1.00 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9349609 1.00 USP5 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9512007 0.95 HTR2A (0.37) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9511993 0.95 HTR2A (0.37) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL2850582 0.95 CCR2 (0.35) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL2847709 0.92 HTR2A (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL2845403 0.90 HTR2A (0.37) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL2850888 0.90 HTR2A (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331091-B1 Cyclohexene derivatives DAINIPPON INK & CHEMICALS (JP) 1995-01-11 EP disclosed
US-5321169-A Liquid crystals having high nematic to isotropic liquid transition point DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-14 US disclosed
US-4946986-A LIQUID CRYSTALS DAINIPPON INK AND CHEMICALS (JP) 1990-08-07 US disclosed