SCHEMBL10451995

SCHEMBL10451995

CCCCCC(C)(c1ccc(C)c(O)c1)c1ccc(C)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.55
CNR2 P34972 13/20 0.55
ESR1 P03372 6/20 0.51
ESR2 Q92731 2/20 0.51
AR P10275 1/20 0.46

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
SCHEMBL6056720 0.88 ESR1 (0.67) CNR1CNR2ESR1ESR2AR
SCHEMBL31738904 0.88 ESR1 (0.67) CNR1CNR2ESR1ESR2AR
SCHEMBL30336860 0.87 ESR1 (0.65) CNR1CNR2ESR1ESR2AR
SCHEMBL2860135 0.87 ESR1 (0.65) CNR1CNR2ESR1ESR2AR
SCHEMBL2857428 0.87 ESR1 (0.65) CNR1CNR2ESR1ESR2AR
SCHEMBL10748415 0.87 ESR1 (0.65) CNR1CNR2ESR1ESR2AR
SCHEMBL30208616 0.84 CNR2 (0.55) CNR1CNR2ESR1ESR2AR
SCHEMBL2028816 0.83 ESR1 (0.74) ESR1ESR2AR
SCHEMBL6431647 0.79 ESR1 (0.48) CNR1CNR2ESR1ESR2AR
SCHEMBL6236779 0.78 ESR1 (0.67) CNR1CNR2ESR1ESR2

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-H732-H Polymer blend SHELL OIL COMPANY (US) 1990-02-06 US disclosed