SCHEMBL9223403

SCHEMBL9223403

CCCCCCC(=O)Oc1ccc(F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CA2 P00918 3/20 0.49
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.45
HPGD P15428 1/20 0.44
RET P07949 1/20 0.42
DGKA P23743 1/20 0.42
POLM Q9NP87 1/20 0.42
POLK Q9UBT6 1/20 0.42
POLL Q9UGP5 1/20 0.42
POLH Q9Y253 1/20 0.42

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
SCHEMBL1999057 0.94 MAPT (0.45) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL25797756 0.88 KMT2A (0.50) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL25797726 0.88 KMT2A (0.50) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL1996155 0.87 BCL9 (0.51) KMT2ACA2RAB9AALDH1A1ALOX15
SCHEMBL16582465 0.87 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1
SCHEMBL16582459 0.86 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8203165 0.86 RARB (0.53) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL8190524 0.86 RARB (0.53) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL7776130 0.86 RARB (0.53) KMT2ASMN1; SMN2CA2HTR1AHTR1B
SCHEMBL7750630 0.86 RARB (0.53) KMT2ASMN1; SMN2CA2HTR1AHTR1B

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
JP-7025825-A None JP disclosed
JP-H0725825-A ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CITIZEN WATCH CO LTD 1995-01-27 JP disclosed