SCHEMBL8717429

SCHEMBL8717429

C=C(C)c1c(OC)ccc2c[c]ccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.35
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
NQO1 P15559 1/20 0.30

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
SCHEMBL8716900 0.84 CA9 (0.48) CA9MAPTLMNACA12CA1
SCHEMBL19440209 0.77 MAPT (0.56) MAPTLMNANQO1
SCHEMBL9164412 0.75 MAPT (0.36) MAPTNQO1
SCHEMBL9739745 0.75 MAPT (0.40) MAPTLMNANQO1
SCHEMBL8722679 0.73 MAPT (0.35) MAPTNQO1
SCHEMBL4326638 0.73 CYP19A1 (0.41) MAPTNQO1
SCHEMBL4465114 0.73 CYP19A1 (0.41) MAPTLMNANQO1
SCHEMBL8556354 0.73 MAPT (0.35) MAPTNQO1
SCHEMBL28902991 0.73 KDM2B (0.37)
SCHEMBL4050347 0.73 CA1 (0.39) CA9CA1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763455-A SEROTONIN RECEPTOR ANTAGONISTS WAKE FOREST UNIVERSITY (US) 1998-06-09 US disclosed
US-5760055-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS WAKE FOREST UNIVERSITY (US) 1998-06-02 US disclosed