SCHEMBL7479624

SCHEMBL7479624

O=CCC(=O)CCCCCCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.48
USP2 O75604 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
PTPRF P10586 2/20 0.38
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL27987587 0.81 TAAR1 (0.55) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4369177 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4367706 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL8080009 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL713455 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4368662 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4370700 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4370367 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4365322 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1
SCHEMBL4373361 0.80 NPC1 (0.68) SMN1; SMN2POLBTSHRALDH1A1L3MBTL1

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
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO disclosed