SCHEMBL7975812

SCHEMBL7975812

O=CCC1=CCC(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.37
ADRA1A P35348 1/20 0.35
SLC18A3 Q16572 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTRB1 P17538 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28534739 0.75 DRD2 (0.42) SRD5A1ADRA1ASLC18A3SIGMAR1GAA
SCHEMBL9518144 0.75 TRPA1 (0.44) SRD5A1ADRA1ASLC18A3SIGMAR1GAA
SCHEMBL6169705 0.71 GRIN2B (0.38) SRD5A1ADRA1ASLC18A3SIGMAR1GAA
SCHEMBL7973026 0.71 ALOX5 (0.42) KDM4E
SCHEMBL21333362 0.70 CES2 (0.33)
SCHEMBL9192268 0.69 KDM4E (0.38) AKR1C3AKR1C1KDM4EHCAR2
SCHEMBL6846980 0.69 GAA (0.39) SLC18A3GAAMAPTKDM4E
SCHEMBL25073357 0.68 SLC18A3 (0.41) SRD5A1ADRA1ASLC18A3SIGMAR1GAA
SCHEMBL6740701 0.68 SLC18A3 (0.41) SRD5A1ADRA1ASLC18A3SIGMAR1GAA
SCHEMBL17440328 0.68 SLC18A3 (0.41) SRD5A1ADRA1ASLC18A3SIGMAR1GAA

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed