SCHEMBL9366353

SCHEMBL9366353

CC(C)=CCCC(C)=CCOC(Cn1ccnc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
IDO1 P14902 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ORAI1 Q96D31 1/20 0.40

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
SCHEMBL9366348 1.00 CYP19A1 (0.45) CYP19A1CYP3A4ALDH1A1MAPTTDP1
SCHEMBL9367755 0.83 IDO1 (0.40) CYP3A4TDP1MEN1CYP1A2TSHR
SCHEMBL9367743 0.83 IDO1 (0.40) CYP3A4TDP1MEN1CYP1A2TSHR
SCHEMBL9363361 0.82 LMNA (0.41) CYP3A4ALDH1A1MAPTTDP1MEN1
SCHEMBL9362738 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2
SCHEMBL9821450 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2
SCHEMBL9362735 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2
SCHEMBL9363001 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2
SCHEMBL9821457 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2
SCHEMBL3762407 0.81 IDO1 (0.65) CYP19A1CYP3A4TDP1MEN1CYP1A2

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
EP-0427242-B1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORP (JP) 1994-09-21 EP disclosed
US-5183824-A Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1993-02-02 US disclosed
US-5110826-A AZOLE DERIVATIVES AND ANTIFUNGAL DRUGS CONTAINING THE SAME AS AN ACTIVE COMPONENT KAO CORPORATION (JP) 1992-05-05 US disclosed
EP-0427242-A1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1991-05-15 EP disclosed