SCHEMBL6768985

SCHEMBL6768985

OCc1ccccc1OCCCCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH1 P35367 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 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
SCHEMBL7889403 0.92 MAPK1 (0.51) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL17445915 0.90 KDM4E (0.51) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL27946664 0.87 KDM4E (0.57) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL18974135 0.83 HRH1 (0.51) MAPTL3MBTL1NPSR1HRH1HPGD
SCHEMBL7873203 0.83 IDO1 (0.53) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL561327 0.82 CYP1A2 (0.56) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL11212429 0.82 HTR1B (0.58) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL7997617 0.82 PDCD1 (0.43) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL2806322 0.81 L3MBTL1 (0.50) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL6267357 0.81 MAPT (0.53) KDM4EMAPK1MEN1KMT2AMAPT

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-6787538-B2 HORMONE REPLACEMENT THERAPY; AGONISTS, ANTAGONISTS; ANTIESTROGENS WITH LITTLE TO NO INTRINSIC ESTROGENICITY WYETH 2004-09-07 US disclosed