SCHEMBL9612396

SCHEMBL9612396

COc1ccc(-c2c(-c3ccc(OC)cc3)c3cc4ccccc4cc3c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2A6 P11509 1/20 0.47
ACACA Q13085 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ACHE P22303 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GPR84 Q9NQS5 1/20 0.46

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
SCHEMBL4309836 0.85 ACHE (0.54) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17197654 0.84 ALOX5 (0.49) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL27953243 0.83 CYP1A2 (0.48) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL29458789 0.82 ACHE (0.61) KDM4EMAPTALDH1A1HPGDACACA
SCHEMBL1470672 0.82 ACHE (0.61) KDM4EMAPTALDH1A1HPGDACACA
SCHEMBL22993026 0.82 CYP1A2 (0.57) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL18762062 0.81 ALOX5 (0.58) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL29847407 0.81 ALOX5 (0.58) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL17739691 0.81 ACHE (0.53) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL14363725 0.81 CYP1A2 (0.52) ALOX5KDM4EMAPTALDH1A1HPGD

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
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed