SCHEMBL9856411

SCHEMBL9856411

CCC(C)Sc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 10/20 0.61
NPC1 O15118 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9856191 0.83 NPC1 (0.64) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL8107829 0.81 HPGD (0.73) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL10797893 0.81 HPGD (0.68) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL18074274 0.78 HPGD (1.00) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL29237869 0.76 HPGD (0.79) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL31030951 0.76 HPGD (0.79) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL1578469 0.76 RAB9A (0.83) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL17334629 0.76 HPGD (0.73) HPGDNPSR1RAB9ANPC1L3MBTL1
SCHEMBL10789684 0.75 LTA4H (0.44) HPGDRAB9ANPC1L3MBTL1MAPT
SCHEMBL8346723 0.74 HPGD (0.74) HPGDNPSR1RAB9ANPC1L3MBTL1

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed