SCHEMBL21797192

SCHEMBL21797192

O=S(=O)(O)SCCCCCc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CHRM1 P11229 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR2F2 P24468 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL21797163 1.00 POLB (0.63) POLBLMNAKDM4ECHRM1NPC1
SCHEMBL21797194 0.99 POLB (0.65) POLBLMNAKDM4ECHRM1NPC1
SCHEMBL21797171 0.95 POLB (0.62) POLBLMNAKDM4ECHRM1NPC1
SCHEMBL21797162 0.89 POLB (0.57) POLBLMNAKDM4ECHRM1NPC1
SCHEMBL5067127 0.82 POLB (0.73) POLBLMNAKDM4ECHRM1NPC1
SCHEMBL7856315 0.81 POLB (0.96) POLBKDM4ECHRM1NPC1RAB9A
SCHEMBL7856311 0.81 POLB (0.96) POLBKDM4ECHRM1NPC1RAB9A
SCHEMBL7854826 0.81 POLB (0.96) POLBKDM4ECHRM1NPC1RAB9A
SCHEMBL30701863 0.81 POLB (0.96) POLBKDM4ECHRM1NPC1RAB9A
SCHEMBL30701864 0.81 POLB (0.96) POLBKDM4ECHRM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626773-B1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORP (JP) 2021-12-08 EP disclosed
US-20200283613-A1 RUBBER COMPOSITION FOR TIRES AND TIRE BRIDGESTONE CORPORATION (JP) 2020-09-10 US disclosed
EP-3626773-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE Bridgestone Corporation (JP) 2020-03-25 EP disclosed
US-20200079933-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-03-12 US disclosed
CN-110662799-A Rubber composition for tire and tire 株式会社普利司通 2020-01-07 CN disclosed