SCHEMBL11115039

SCHEMBL11115039

Cc1ccc(OC2(O)CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TEAD4 Q15561 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
WDR5 P61964 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 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
SCHEMBL10957293 0.87 SLC6A4 (0.34) LMNASLC6A2SLC6A4SLC6A3TSHR
SCHEMBL16406624 0.78 ACHE (0.42) ACHELMNAKMT2ASMN1; SMN2CYP3A4
SCHEMBL8494832 0.78 HRH3 (0.30) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL27653784 0.77 MAPT (0.44) LMNASMN1; SMN2KDM4EHPGDTDP1
SCHEMBL24595919 0.77 ACHE (0.41) ACHELMNAKMT2ASMN1; SMN2CYP3A4
SCHEMBL1701402 0.77 KDM4E (0.41) SLC6A4KDM4E
SCHEMBL16406559 0.77 ACHE (0.41) ACHELMNAKMT2ASMN1; SMN2CYP3A4
SCHEMBL11502894 0.76 LTA4H (0.47) TSHR
SCHEMBL27286249 0.76 RXRA (0.34)
SCHEMBL18477985 0.75 POLB (0.40) ACHELMNAKMT2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127143-A2 Novel aryloxycycloalkanolaminoalkylene aryl ketones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-12-05 EP disclosed