SCHEMBL6882802

SCHEMBL6882802

O=C(Oc1ccccc1)C1C[CH]CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.41
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
SLC6A3 Q01959 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL472074 0.86 ELANE (0.51) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL525974 0.83 ELANE (0.73) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL3079124 0.83 ELANE (0.73) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL3193624 0.83 ELANE (0.73) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL12370828 0.83 ELANE (0.73) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL12642500 0.83 ELANE (0.73) ELANESMN1; SMN2KMT2ATDP1HTT
Hydrochloric Acid SCHEMBL3866426 0.81 ELANE (0.71) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL30877919 0.81 POLB (0.60) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL9232274 0.79 KMT2A (0.74) ELANESMN1; SMN2KMT2ATDP1HTT
SCHEMBL10778406 0.79 KMT2A (0.81) ELANESMN1; SMN2KMT2ATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200915-C Process for preparing organic compound MITSUI CHEMICALS INC (JP) 2005-05-11 CN disclosed
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed