SCHEMBL8967852

SCHEMBL8967852

O=C(c1ccc(Cl)cc1)c1ccccc1Sc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
SIRT1 Q96EB6 1/20 0.56
BCL2L1 Q07817 2/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SRD5A2 P31213 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.44

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
SCHEMBL2129013 0.88 SIRT1 (0.65) SIRT1POLBRAB9AL3MBTL1MEN1
SCHEMBL9625444 0.85 SIRT1 (0.56) NR4A1SIRT1BCL2L1POLBRAB9A
SCHEMBL21679514 0.83 SIRT1 (0.54) SIRT1BCL2L1POLBL3MBTL1MEN1
SCHEMBL8959187 0.82 SIRT1 (0.71) SIRT1POLBLMNAL3MBTL1MEN1
SCHEMBL28682830 0.82 SRD5A2 (0.55) NR4A1SIRT1BCL2L1POLBMEN1
SCHEMBL6781026 0.81 NPC1 (0.56) NR4A1SIRT1BCL2L1POLBNPC1
SCHEMBL8771928 0.81 SRD5A2 (0.59) NR4A1BCL2L1POLBLMNAL3MBTL1
SCHEMBL1127672 0.81 SIRT1 (0.56) SIRT1BCL2L1POLBRAB9ALMNA
Acetophenone SCHEMBL28395442 0.81 ALDH1A1 (0.59) SIRT1NPC1RAB9ALMNAL3MBTL1
SCHEMBL30114756 0.79 NR4A1 (0.85) NR4A1LMNAL3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306051-B1 Process for production of aromatic polyethers MITSUBISHI GAS CHEMICAL CO (JP) 1996-03-06 EP claimed
US-4952665-A Process for production of aromatic polyethers with alkali metal carbonate/bicarbonate/fluoride cocatalyst MITSUBISHI GAS CHEMICAL COMPANY, LTD. (JP) 1990-08-28 US claimed
EP-0306051-A1 Process for production of aromatic polyethers MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-03-08 EP claimed
EP-0306051-B1 Process for production of aromatic polyethers MITSUBISHI GAS CHEMICAL CO (JP) 1996-03-06 EP disclosed
US-4952665-A Process for production of aromatic polyethers with alkali metal carbonate/bicarbonate/fluoride cocatalyst MITSUBISHI GAS CHEMICAL COMPANY, LTD. (JP) 1990-08-28 US disclosed
EP-0306051-A1 Process for production of aromatic polyethers MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-03-08 EP disclosed