SCHEMBL8625862

SCHEMBL8625862

COC(=O)C#CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMO O15229 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
SCHEMBL23484631 0.83 TSHR (0.46) HPGDTSHRKDM4EMAPTHTT
SCHEMBL8628903 0.81 HPGD (0.46) HPGDTSHRKDM4EMAPTHTT
SCHEMBL2879042 0.79 TSHR (0.59) TSHRKDM4EMEN1NPC1MAPT
SCHEMBL8630144 0.79 ERCC5 (0.47) HPGDMEN1NPC1PKMRAB9A
SCHEMBL5512015 0.77 TSHR (0.58) HPGDTSHRMEN1MAPTPKM
SCHEMBL10428831 0.75 CA1 (0.53) HPGDNPC1MAPTPKMRAB9A
SCHEMBL8627919 0.75 TDP1 (0.53) HPGDKDM4EMEN1NPC1MAPT
SCHEMBL29822834 0.74 ALDH1A1 (0.64) HPGDTSHRKDM4EMEN1NPC1
SCHEMBL5393044 0.74 ALDH1A1 (0.64) HPGDTSHRKDM4EMEN1NPC1
SCHEMBL8626139 0.74 APP (0.55) NPC1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646570-B1 PROCESS FOR PRODUCING LIGNAN COMPOUND SHIONOGI & CO (JP) 1998-06-24 EP disclosed
US-5488134-A Preparation of compounds of lignan series SHIONOGI & CO., LTD. (JP) 1996-01-30 US disclosed
CN-1109685-A Process for producing lignan compound SHIONOGI & CO (JP) 1995-10-04 CN disclosed
EP-0646570-A1 PROCESS FOR PRODUCING LIGNAN COMPOUND SHIONOGI & CO., LTD. (JP) 1995-04-05 EP disclosed