SCHEMBL8496029

SCHEMBL8496029

CCCCCCCCCCOc1cccc2oc(=O)c(OCC=C(C)CCC=C(C)C)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 11/20 0.52
▸ VKORC1 Q9BQB6 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL8496022 1.00 ALOX15 (0.52) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8490949 0.96 ALOX15 (0.54) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8490957 0.96 ALOX15 (0.54) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8497350 0.93 ALOX15 (0.52) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8497353 0.93 ALOX15 (0.52) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8495685 0.93 ALOX15 (0.53) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8492705 0.92 ALOX15 (0.52) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL8496777 0.92 ALOX15 (0.52) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL6272773 0.91 ALOX15 (0.53) ALOX15VKORC1TDP1CYP3A4KDM4E
SCHEMBL6272777 0.91 ALOX15 (0.53) ALOX15VKORC1TDP1CYP3A4KDM4E

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
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