SCHEMBL6904941

SCHEMBL6904941

CCC1c2cc(O)c(C)c(C)c2Oc2c1cc(O)c(C)c2C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
ALOX5 P09917 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
SCHEMBL6906639 0.79 ACHE (0.36) ESR1ESR2CYP3A4ACHE
SCHEMBL6905384 0.67 ALOX5 (0.44) ESR1ESR2ALOX5
SCHEMBL13053925 0.66 ESR1 (0.33) ESR1ESR2
SCHEMBL5021788 0.66 ESR1 (0.33) ESR1ESR2
SCHEMBL23551151 0.66 ESR1 (0.33) ESR1ESR2
SCHEMBL6903662 0.64 AKT1 (0.37) CYP3A4ACHEALOX5
SCHEMBL6903996 0.63 ALOX15 (0.45) CYP3A4
SCHEMBL13053962 0.63 KDM4E (0.33) ESR1ESR2CYP3A4
SCHEMBL31544995 0.63 ALOX5 (0.40) ESR1ALOX5
SCHEMBL20080374 0.63 ALOX5 (0.40) ESR1ALOX5

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed