SCHEMBL14498831

SCHEMBL14498831

COc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(CO)cc3)c3ccc4c(-c5ccccc5-c5ccc(OC)cc5)cc(-c5ccccc5-c5ccc(OC)cc5)c5ccc2c3c45)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.51
▸ ABCB1 P08183 2/20 0.51
▸ BCR P11274 2/20 0.51
▸ BACE1 P56817 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL15945801 0.90 NOD2 (0.43) ABL1ABCB1BCRBACE1RAB9A
SCHEMBL14524439 0.89 ABL1 (0.62) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL13232533 0.85 ABL1 (0.66) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL14498830 0.83 ABL1 (0.51) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL13251065 0.78 ACACA (0.59) ABL1ABCB1BCRBACE1RAB9A
SCHEMBL13251023 0.78 ABL1 (0.52) ABL1ABCB1BCRBACE1RAB9A
SCHEMBL13211674 0.78 ABL1 (0.74) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL12126759 0.77 ACACA (0.46) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL6285826 0.76 MAOB (0.59) LTA4HRAB9AALDH1A1CYP11B1CYP11B2
SCHEMBL11096260 0.76 ABL1 (0.76) ABL1ABCB1BCRBACE1HDAC4

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-7232619-B2 Pyrene derivative, light emitting element, and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-06-19 — — US disclosed
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