SCHEMBL8003845

SCHEMBL8003845

O=C(O)C(=Cc1cccc2ccccc12)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DPEP1 P16444 1/20 0.43
EPHX2 P34913 2/20 0.43
ACP3 P15309 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
KCNJ11 Q14654 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
EPHX1 P07099 2/20 0.39
METAP2 P50579 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
SCHEMBL4740680 0.79 CYP3A4 (0.51) NPC1RAB9ADPEP1EPHX2EPHX1
SCHEMBL3856454 0.79 CYP3A4 (0.51) NPC1RAB9ADPEP1EPHX2EPHX1
SCHEMBL4743549 0.77 CYP3A4 (0.53) NPC1RAB9ADPEP1EPHX2
SCHEMBL5698294 0.77 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8416201 0.76 KDM4E (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL563351 0.76 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8865007 0.76 KDM4E (0.55) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7971777 0.76 KDM4E (0.55) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL3817101 0.76 KDM4E (0.55) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7328223 0.76 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1HPGD

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-0699694-B1 Comb polymers ROEHM GMBH (DE) 2000-01-05 EP disclosed