SCHEMBL11209298

SCHEMBL11209298

O=C(Oc1ccccc1)[C@@H]1CC[C@@H]2CCCCC2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SLC6A3 Q01959 1/20 0.40
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 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
SCHEMBL21879666 0.94 ELANE (0.58) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL21879675 0.92 ELANE (0.57) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL26545208 0.90 ELANE (0.63) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL21879668 0.89 ELANE (0.54) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL29255745 0.88 ELANE (0.53) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL3168823 0.85 ELANE (0.64) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL30877912 0.83 ELANE (0.57) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL3166172 0.82 SMN1; SMN2 (0.69) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL26038607 0.82 KMT2A (0.69) ELANEPOLBSMN1; SMN2KMT2AHTT
SCHEMBL21879669 0.81 SMN1; SMN2 (0.47) ELANEPOLBSMN1; SMN2KMT2AHTT

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
US-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 US disclosed