SCHEMBL13733403

SCHEMBL13733403

O=C(O)N1CCC(Oc2ccccc2)C1B1OCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSC P53634 2/20 0.42
CTSH P09668 1/20 0.42
CTSF Q9UBX1 1/20 0.42
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
NAAA Q02083 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL16795096 0.92 ALDH1A1 (0.42) CTSVCTSLCTSBCTSSCTSK
SCHEMBL30608945 0.71 USP30 (0.43) CTSVCTSLCTSBCTSSCTSK
SCHEMBL30324508 0.66 GAA (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL5010541 0.66 ALDH1A1 (0.51) CHRNA7HTR3AALDH1A1SMN1; SMN2GAA
SCHEMBL6043826 0.66 CTSV (0.46) CTSVCTSLCTSBCTSSCTSK
SCHEMBL4158989 0.65 ABHD6 (0.47) ALDH1A1MEN1KMT2ADPP4NPC1
SCHEMBL12500075 0.64 HRH1 (0.38) ALDH1A1SLC6A2SLC6A3NPC1RAB9A
SCHEMBL11418804 0.63 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL16795099 0.62 EPHX2 (0.33) ALDH1A1SMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL5271411 0.62 EPHX2 (0.59) SCD5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416962-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI (FR) 2018-12-26 EP disclosed
WO-2017140669-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI (FR) 2017-08-24 WO disclosed
EP-2702059-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2014-03-05 EP disclosed
WO-2012146659-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-11-01 WO disclosed