SCHEMBL10576456

SCHEMBL10576456

O=C1SCC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.54
▸ GSK3B P49841 4/20 0.54
▸ ELANE P08246 4/20 0.46
▸ CTSG P08311 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CTRC Q99895 1/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ PRTN3 P24158 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10572898 0.90 GSK3A (0.48) GSK3AGSK3BELANECTSGCYP2C19
SCHEMBL10576467 0.83 BACE1 (0.43) GSK3AGSK3BELANECYP2C19KMT2A
SCHEMBL10570089 0.73 ALDH1A1 (0.42) ELANEKMT2AMGLLNPSR1MEN1
SCHEMBL10604466 0.71 CNR1 (0.35) BACE1CNR1ALDH1A1
SCHEMBL10570645 0.71 ALDH1A1 (0.48) ELANEKMT2AMGLLMEN1BACE1
SCHEMBL338442 0.70 GSK3A (1.00) GSK3AGSK3BELANECTSGF2
SCHEMBL8199517 0.69 CA9 (0.41) GSK3AGSK3BELANECYP2C19BACE1
SCHEMBL10574135 0.68 GSK3A (0.70) GSK3AGSK3BELANECTSGF2
SCHEMBL27818048 0.65 GSK3A (0.75) GSK3AGSK3BELANECTSGF2
SCHEMBL15461433 0.65 CNR1 (0.80) CYP2C19KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4746738-A SKIN THICKENERS WELLA AKTIENGESELLSCHAFT (DE) 1988-05-24 — — US claimed
EP-0116318-B1 TETRAHYDRO-1,3-THIAZINE-2,4-DIONES, THEIR USE AND AGENTS CONTAINING THESE COMPOUNDS FOR THE TREATMENT OF THE SKIN Wella Aktiengesellschaft (DE) 1988-03-02 — — EP claimed
EP-0116318-A1 Tetrahydro-1,3-thiazine-2,4-diones, their use and agents containing these compounds for the treatment of the skin Wella Aktiengesellschaft (DE) 1984-08-22 — — EP claimed
WO-1984003041-A1 TETRAHYDRO-1,3-THIAZIN-2,4-DIONE, UTILIZATION THEREOF AND SKIN TREATING AGENTS CONTAINING SAID COMPOUND WELLA AG (DE) 1984-08-16 — — WO claimed
US-4883652-A THICKEN EPIDERMIS, PROTECTIVE COATING, ANTIAGING WELLA AKTIENGESELLSCHAFT (DE) 1989-11-28 — — US disclosed
US-4746738-A SKIN THICKENERS WELLA AKTIENGESELLSCHAFT (DE) 1988-05-24 — — US disclosed
EP-0116318-B1 TETRAHYDRO-1,3-THIAZINE-2,4-DIONES, THEIR USE AND AGENTS CONTAINING THESE COMPOUNDS FOR THE TREATMENT OF THE SKIN Wella Aktiengesellschaft (DE) 1988-03-02 — — EP disclosed
EP-0116318-A1 Tetrahydro-1,3-thiazine-2,4-diones, their use and agents containing these compounds for the treatment of the skin Wella Aktiengesellschaft (DE) 1984-08-22 — — EP disclosed
WO-1984003041-A1 TETRAHYDRO-1,3-THIAZIN-2,4-DIONE, UTILIZATION THEREOF AND SKIN TREATING AGENTS CONTAINING SAID COMPOUND WELLA AG (DE) 1984-08-16 — — WO disclosed
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