SCHEMBL5311364

SCHEMBL5311364

CC1(C)CCc2cc(C(=O)c3ccccc3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
COXFA4 O00483 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
DAGLA Q9Y4D2 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL30195971 0.85 RXRA (0.64) RXRANPC1RAB9ACOXFA4ALDH1A1
SCHEMBL3880185 0.85 RXRA (0.64) RXRANPC1RAB9ACOXFA4ALDH1A1
SCHEMBL5712102 0.85 RXRA (0.55) RXRACOXFA4ALDH1A1MAPTCYP2C19
SCHEMBL6210627 0.82 RXRA (0.50) RXRANPC1RAB9ACOXFA4MAPT
SCHEMBL30026892 0.82 RXRA (0.50) RXRANPC1RAB9ACOXFA4MAPT
SCHEMBL3782343 0.81 COXFA4 (0.49) RXRANPC1RAB9ACOXFA4MAPT
SCHEMBL9870850 0.80 CTNNB1 (0.48) RXRACOXFA4DAGLACYP3A4CYP2D6
SCHEMBL14540851 0.80 RXRA (0.44) RXRAALDH1A1MAPTDAGLACYP3A4
SCHEMBL16742142 0.79 COXFA4 (0.53) RXRANPC1RAB9ACOXFA4NPSR1
SCHEMBL10563208 0.78 TDP1 (0.44) RXRANPC1RAB9ACOXFA4MAPT

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
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed