SCHEMBL8083276

SCHEMBL8083276

CCC(CC)(C(=O)O)C(=O)Oc1c(C)csc1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL7490527 0.75 TSHR (0.33) TSHR
SCHEMBL114172 0.70 ADRA2A (0.34) MEN1KMT2A
SCHEMBL453104 0.67 ELANE (0.46)
SCHEMBL2958109 0.65 PTPN1 (0.32) MEN1CYP1A2KMT2A
SCHEMBL456197 0.65 MEN1 (0.48) TSHRMEN1CYP1A2KMT2A
SCHEMBL221073 0.64 PTPN1 (0.40) TSHRMEN1CYP1A2KMT2A
SCHEMBL27889242 0.63 MEN1 (0.47) TSHRMEN1CYP1A2KMT2A
SCHEMBL30440649 0.63 MEN1 (0.47) TSHRMEN1CYP1A2KMT2A
SCHEMBL8306724 0.63 MEN1 (0.47) TSHRMEN1CYP1A2KMT2A
SCHEMBL3750334 0.63 MEN1 (0.40) MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100220-A PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT 2000-08-08 US disclosed
US-6025383-A Substituted thiophene derivatives as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
US-5807805-A Substituted thiophene derivatives as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed