SCHEMBL8344730

SCHEMBL8344730

C=Cc1ccc(CN)cc1OCc1ccc(CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 6/20 0.35
CCR5 P51681 3/20 0.35
HDAC8 Q9BY41 2/20 0.34
CFD P00746 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
F7 P08709 1/20 0.33
TPSB2 P20231 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL8345912 0.91 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2MRGPRX4
SCHEMBL8344663 0.78 MAPT (0.51) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8344558 0.74 MAOB (0.50) NPC1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL20199977 0.70 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17191283 0.69 BACE1 (0.47) SMN1; SMN2HDAC8
SCHEMBL25798559 0.69 HDAC8 (0.50) NPC1RAB9ASMN1; SMN2MAOBCCR5
SCHEMBL23017937 0.68 CCR5 (0.50) NPC1RAB9ASMN1; SMN2MAOBCCR5
SCHEMBL2519601 0.68 LMNA (0.54) RAB9ASMN1; SMN2MAOB
SCHEMBL20359857 0.68 MAPT (0.49) NPC1RAB9ASMN1; SMN2MRGPRX4MAOB
SCHEMBL16199730 0.68 LOXL2 (0.39)

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
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US claimed
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