SCHEMBL11550840

SCHEMBL11550840

COc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.71
CNR2 P34972 2/20 0.71
ESR1 P03372 15/20 0.64
ESR2 Q92731 10/20 0.63
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61
TUBA1A Q71U36 1/20 0.61
TUBA1C Q9BQE3 1/20 0.61
TUBB6 Q9BUF5 1/20 0.61
TUBB2B Q9BVA1 1/20 0.61
TUBB1 Q9H4B7 1/20 0.61
TDP1 Q9NUW8 2/20 0.57

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
SCHEMBL11552941 0.95 CNR1 (0.71) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7075381 0.94 ESR1 (0.72) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11546554 0.93 CNR1 (0.67) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7075664 0.93 ESR1 (0.74) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7075631 0.93 ESR1 (0.74) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7104458 0.91 CNR2 (0.76) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7107598 0.88 ESR1 (0.75) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL11551310 0.88 ESR1 (0.65) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11551107 0.88 CNR1 (0.67) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL1665792 0.88 CNR1 (0.70) CNR1CNR2ESR1ESR2TUBB4A

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