SCHEMBL27488403

SCHEMBL27488403

CCCC[C](CC)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.61
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPA1 O75762 1/20 0.41
HSD17B3 P37058 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL4884033 0.83 HTR7 (0.47) HTR7HPGDHDAC3HDAC1HDAC2
SCHEMBL815083 0.79 PTGS2 (0.57) PTGS2ESR1ALDH1A1CES2CES1
SCHEMBL7885389 0.76 HTR7 (1.00) HTR7GAAHPGDHDAC3HDAC1
SCHEMBL2015788 0.76 HTR7 (0.61) HTR7PTGS1PTGS2GAAHPGD
SCHEMBL6324909 0.75 HSD17B3 (0.43) HTR7PTGS1PTGS2HPGDHSD17B3
SCHEMBL14313613 0.74 HTR7 (0.59) HTR7PTGS1PTGS2GAAHPGD
SCHEMBL815888 0.73 CES2 (0.56) PTGS2ESR1CES2CES1
SCHEMBL8213922 0.73 HTR7 (0.58) HTR7PTGS1PTGS2GAAHPGD
SCHEMBL27200589 0.73 HTR7 (0.62) HTR7GAAHPGDHDAC3HDAC1
SCHEMBL814748 0.72 CES2 (0.58) PTGS2CES2CES1

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
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN claimed
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN disclosed