SCHEMBL10404018

SCHEMBL10404018

Oc1ccc(OC[C]=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ APP P05067 3/20 0.44
▸ NR5A1 Q13285 1/20 0.44
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL2641227 0.77 LTA4H (0.47) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL975819 0.77 CA12 (0.53) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL5202843 0.77 LTA4H (0.47) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL10404569 0.77 KCNH2 (0.46) CYP1A2CYP2C19MEN1KMT2AAPP
SCHEMBL4365870 0.76 KCNA3 (0.50) LTA4HLMNACYP2C19HDAC6APP
SCHEMBL2895020 0.74 ADAM17 (0.50) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL10404489 0.74 LMNA (0.52) LMNASLC6A2SLC6A3HIF1AMEN1
SCHEMBL14901603 0.72 LTA4H (0.57) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL14901605 0.72 GSTP1 (0.58) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL226548 0.72 LTA4H (0.64) LTA4HLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
Send feedback