SCHEMBL8625834

SCHEMBL8625834

COC(=O)C#CC(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
TYK2 P29597 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8626408 0.81 POLB (0.47) ERCC5FEN1NPC1RAB9AKMT2A
SCHEMBL8631653 0.81 CTSD (0.53) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL3198121 0.76 TSHR (0.52) ERCC5FEN1NPC1RAB9AKMT2A
SCHEMBL10429068 0.73 CXCR5 (0.44) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL27743174 0.73 VCP (0.59) ERCC5FEN1NPC1RAB9AKMT2A
SCHEMBL15841077 0.73 FFAR1 (0.45) ERCC5FEN1NPC1RAB9AHPGD
SCHEMBL29702037 0.72 TSHR (0.63) ERCC5FEN1NPC1RAB9AKMT2A
SCHEMBL101601 0.72 TSHR (0.63) ERCC5FEN1NPC1RAB9AKMT2A
SCHEMBL11643111 0.71 HPGD (0.46) ERCC5FEN1KMT2AHPGDPOLB
Hydrochloric Acid SCHEMBL17476094 0.71 TSHR (0.61) NPC1RAB9AKMT2AHPGDLMNA

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 3 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
EP-0646570-A1 PROCESS FOR PRODUCING LIGNAN COMPOUND SHIONOGI & CO., LTD. (JP) 1995-04-05 EP disclosed