SCHEMBL7093852

SCHEMBL7093852

CCC(CC)CCCOc1nc(-c2ccc(OC)cc2)nc(-c2ccccc2O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
ATM Q13315 2/20 0.40
HPGD P15428 4/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX12 P18054 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38

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
SCHEMBL7057519 0.89 LMNA (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5163597 0.84 MAPT (0.44) NPC1MEN1KMT2AMAPTHPGD
SCHEMBL5163603 0.82 KMT2A (0.40) NPC1MEN1KMT2AMAPTATM
SCHEMBL16746693 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL15909996 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6512448 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4959013 0.80 HTT (0.43) NPC1MEN1KMT2AMAPTHPGD
SCHEMBL5550293 0.79 GAA (0.42) MEN1KMT2AMAPTHPGDTSHR
SCHEMBL28678998 0.79 LMNA (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29364346 0.77 ALOX15 (0.62) NPC1RAB9AMEN1KMT2AMAPT

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
EP-1333804-A2 COMPOSITIONS COMPRISING AT LEAST A GLYCOSIDASE, SAID COMPOSITIONS NOT COMPRISING PROTEASE L'OREAL S.A. (FR) 2003-08-13 EP disclosed
WO-2002038122-A2 COMPOSITIONS COMPRISING AT LEAST A GLYCOSIDASE, SAID COMPOSITIONS NOT COMPRISING PROTEASE L'OREAL S.A (FR) 2002-05-16 WO disclosed