Toluene

Toluene

SCHEMBL8940231

CC(=O)Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CTBP2 P56545 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 2/20 0.46

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
Toluene SCHEMBL249639 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249116 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249049 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL251831 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL299997 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL9462510 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL1243215 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL1143384 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL16053153 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL2053140 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A

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
US-5565588-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids ROUSSEL UCLAF (FR) 1996-10-15 — — US disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 — — US disclosed
EP-0263569-B1 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1992-12-09 — — EP disclosed
US-5093502-A 14α,17α-dihydroxy-17β-substituted steroids AKZO N.V. (NL) 1992-03-03 — — US disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 — — EP disclosed
EP-0189951-A1 New process for the preparation of certain steroids, especially intermediates for the preparation of proligestone and related compounds, and new intermediates formed in this process AKZO N.V. (NL) 1986-08-06 — — EP disclosed
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