SCHEMBL8667466

SCHEMBL8667466

CC/C=C/CCc1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 1/20 0.30
SLC9A1 P19634 1/20 0.30
SLC9A2 Q9UBY0 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ALOX12 P18054 1/20 0.30
FAAH O00519 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
SCHEMBL8667468 1.00 KMT2A (0.32) KMT2ASMN1; SMN2FFAR1ALDH1A1MAPT
SCHEMBL8667526 0.88 SLC9A1 (0.33) SLC9A1SLC9A2THRATHRB
SCHEMBL8667529 0.88 SLC9A1 (0.33) SLC9A1SLC9A2THRATHRB
SCHEMBL8665023 0.86 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8665020 0.86 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8666430 0.84 SLC9A1 (0.32) KMT2ASMN1; SMN2ALDH1A1SLC9A1SLC9A2
SCHEMBL7798615 0.82 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL7798617 0.82 SLC9A1 (0.53) SLC9A1SLC9A2
SCHEMBL8664964 0.82 THRA (0.32) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA
SCHEMBL8664961 0.82 THRA (0.32) KMT2ASMN1; SMN2SLC9A1SLC9A2THRA

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
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed