SCHEMBL11552140

SCHEMBL11552140

COc1ccc(C(=O)c2c(-c3ccccc3)[s+]([O-])c3cc(OC)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42

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
SCHEMBL11548550 0.96 ALDH1A1 (0.46) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11548482 0.95 CNR1 (0.45) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11552880 0.94 ALDH1A1 (0.45) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11547390 0.94 CNR1 (0.45) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11549952 0.92 CNR1 (0.43) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11549202 0.90 ALDH1A1 (0.48) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11547893 0.89 SLC22A12 (0.46) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11550728 0.88 RARB (0.44) CNR1CNR2L3MBTL1LMNAMAPT
SCHEMBL11552235 0.87 ALDH1A1 (0.45) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11554507 0.86 CNR1 (0.40) CNR1CNR2ALDH1A1SMN1; SMN2L3MBTL1

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-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed