SCHEMBL8494860

SCHEMBL8494860

CCCCCCCCCCOc1ccc2c(OCC=C(C)CCC=C(C)C)c(OC(C)=O)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
CYP3A4 P08684 3/20 0.51
MAPT P10636 3/20 0.51
MAOB P27338 3/20 0.51
BACE1 P56817 3/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAOA P21397 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL8494859 1.00 TDP1 (0.51) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8494841 0.96 TDP1 (0.51) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8494846 0.96 TDP1 (0.51) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8492838 0.96 MAOB (0.53) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8492845 0.96 MAOB (0.53) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8492994 0.95 TDP1 (0.54) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8489791 0.94 TDP1 (0.50) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8493392 0.94 TDP1 (0.50) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8493401 0.94 TDP1 (0.50) TDP1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL8489797 0.94 TDP1 (0.50) TDP1KDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed