SCHEMBL9712092

SCHEMBL9712092

OCCc1ccccc1C=S

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 2/20 0.33
MITF O75030 1/20 0.33
APOBEC3G Q9HC16 1/20 0.31
FFAR1 O14842 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
HSPA5 P11021 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
SCHEMBL8593874 0.78 MITF (0.36) MITFTAAR1
SCHEMBL6753105 0.78 TDP1 (0.50) TDP1PTPN1FFAR1
SCHEMBL6031975 0.78 ALDH1A1 (0.41) TDP1PTPN1MITFAPOBEC3GFFAR1
SCHEMBL3067302 0.77 HTR1A (0.43) MITFTAAR1
SCHEMBL29534868 0.75 TDP1 (0.55) TDP1PTPN1APOBEC3GFFAR1TAAR1
SCHEMBL31203 0.75 TDP1 (0.55) TDP1PTPN1APOBEC3GFFAR1TAAR1
SCHEMBL20921282 0.75 TDP1 (0.41) TDP1PTPN1MITFFFAR1
SCHEMBL4952213 0.75 CYP3A4 (0.44) MITF
SCHEMBL6843748 0.74 LIPG (0.50)
SCHEMBL11663851 0.74 TDP1 (0.35) TDP1PTPN1MITFFFAR1

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
EP-0309839-B1 PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-04 EP claimed