SCHEMBL8345912

SCHEMBL8345912

C=Cc1ccc(CO)cc1OCc1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
TSHR P16473 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
RECQL P46063 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL8344730 0.91 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL8344663 0.83 MAPT (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL20199977 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL5383549 0.75 EGFR (0.42) HPGDTSHRMAPTHSD17B10RECQL
SCHEMBL17191283 0.73 BACE1 (0.47) SMN1; SMN2HDAC8HTT
SCHEMBL25798559 0.73 HDAC8 (0.50) NPC1RAB9ASMN1; SMN2TSHRHDAC8
SCHEMBL13448174 0.73 SLC2A1 (0.54) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL23017937 0.72 CCR5 (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20359857 0.72 MAPT (0.49) NPC1RAB9ASMN1; SMN2MRGPRX4HDAC8
SCHEMBL2519601 0.72 LMNA (0.54) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US disclosed