SCHEMBL8946400

SCHEMBL8946400

COc1cc(C)c2c(c1)[C@@]1(C)Cc3ccccc3[C@@]1(C)N2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8946403 1.00 BACE1 (0.34) BACE1ATMLMNAPOLBNPC1
SCHEMBL8946395 1.00 BACE1 (0.34) BACE1ATMLMNAPOLBNPC1
SCHEMBL8946427 0.84 KMT2A (0.33)
SCHEMBL8946439 0.84 KMT2A (0.33)
SCHEMBL8946432 0.84 KMT2A (0.33)
SCHEMBL8946828 0.77 S100B (0.35)
SCHEMBL8946842 0.77 S100B (0.35)
SCHEMBL8946834 0.77 S100B (0.35)
SCHEMBL8946467 0.72
SCHEMBL8946474 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US claimed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed