SCHEMBL8600742

SCHEMBL8600742

COc1ccc2c(C(=O)c3ccc(OCC(C)Cl)cc3)c(-c3ccccc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
ESR1 P03372 16/20 0.55
ESR2 Q92731 16/20 0.55
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
ENPP3 O14638 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
SCHEMBL11547494 0.86 CNR2 (0.76) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL8600465 0.85 ESR1 (0.62) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11547042 0.84 CNR1 (0.70) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11550376 0.83 ESR1 (0.52) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11551107 0.82 CNR1 (0.67) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11547336 0.82 ESR1 (0.61) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL8596134 0.82 ESR1 (0.60) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL7104458 0.81 CNR2 (0.76) CNR1CNR2ESR1ESR2TUBB4A
SCHEMBL11550688 0.80 CNR1 (0.57) CNR1CNR2ESR1ESR2ENPP3
SCHEMBL8597235 0.80 ESR1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed