SCHEMBL9534058

SCHEMBL9534058

O=[C]OCCN1CCSCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
GAA P10253 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL1998371 0.80 HRH3 (0.39)
SCHEMBL7706424 0.78 HRH3 (0.42)
SCHEMBL5946046 0.77 ALDH1A1 (0.37)
SCHEMBL5540209 0.75 POLB (0.45)
SCHEMBL290317 0.75 GLA (0.42)
SCHEMBL7658764 0.71 HRH3 (0.38) KDM1AGAAARG1ARG2
SCHEMBL10855530 0.71 GAA (0.34) KDM1AGAAARG1ARG2
SCHEMBL259387 0.71 MAPK1 (0.40) KDM1AGAA
SCHEMBL9534069 0.71 KDM1A (0.32) KDM1AGAAARG1ARG2
SCHEMBL2652115 0.69 DRD3 (0.51) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
US-5032606-A Novel fluorinated resorcinol ethers and their use as anti-allergics and anti-inflammatories CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
EP-0222961-B1 RESORCINOL ETHERS CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
US-4863942-A Novel resorcinol ethers and anti-inflammatory and anti-allergic use thereof CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4820726-A Oxaloamino substituted fluorinated resorcinol ethers and anti-allergic and anti-inflammatory use thereof CIBA-GEIGY CORPORATION (US) 1989-04-11 US disclosed
EP-0165897-B1 RESORCIN ETHERS CIBA-GEIGY AG (CH) 1989-03-15 EP disclosed
US-4670604-A Novel fluorinated resorcinol ethers CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
EP-0222961-A1 Resorcinol ethers CIBA-GEIGY AG (CH) 1987-05-27 EP disclosed
EP-0165897-A2 Resorcin ethers CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed
EP-0089926-A2 Pharmaceutical preparations of tetracycles containing nitrogen, and compounds of this type CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed