SCHEMBL17828550

SCHEMBL17828550

COc1ccc(-c2c3c(c(-c4ccc(OC)cc4)c4ccccc24)-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3ccc(OC)cc3)c3cc4c(-c5ccc(OC)cc5)c5c(c(-c6ccc(OC)cc6)c4cc3c2-c2ccc(OC)cc2)-c2ccc3c4c(ccc-5c24)-c2c-3c(-c3ccc(OC)cc3)c3ccccc3c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
ACACA Q13085 1/20 0.44
ACHE P22303 1/20 0.44
ALOX5 P09917 1/20 0.44
ENPP1 P22413 1/20 0.42
BACE1 P56817 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAOB P27338 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL134695 0.95 ACHE (0.47) ABL1ABCB1BCRACACAACHE
SCHEMBL17828543 0.90 ABL1 (0.46) ABL1ABCB1BCRACACAACHE
SCHEMBL14226898 0.82 ENPP1 (0.50) ABL1ABCB1BCRACACAACHE
SCHEMBL4309836 0.82 ACHE (0.54) ABL1ABCB1BCRACHEHDAC4
SCHEMBL14226900 0.81 ENPP1 (0.47) ABL1ABCB1BCRACACAACHE
SCHEMBL12431208 0.81 MAPT (0.45) ABL1ABCB1BCRACACAACHE
SCHEMBL17828563 0.80 PDE10A (0.43) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL17828553 0.80 CTSV (0.46) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL14226909 0.80 ABL1 (0.48) ABL1ABCB1BCRACACAACHE
SCHEMBL14226905 0.80 CYP1A2 (0.47) ABL1ABCB1BCRACACAACHE

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
US-9997717-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-06-12 US disclosed
US-20160172601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed