SCHEMBL7584043

SCHEMBL7584043

CCC1([C@H](CCS(=O)(=O)c2ccccc2)OC2CCCCO2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HTR7 P34969 2/20 0.34
PSIP1 O75475 1/20 0.32
CYP24A1 Q07973 1/20 0.32
PTAFR P25105 1/20 0.32
SLC6A3 Q01959 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL2449686 0.83 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9628663 0.81 KMT2A (0.39) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL6097183 0.74 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SLC6A3ATM
SCHEMBL9465235 0.73 KMT2A (0.40) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7590767 0.72 PSIP1 (0.42) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL6097178 0.70 KMT2A (0.51) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9180023 0.69 SLC6A3 (0.34) ALDH1A1RAB9AKMT2AMEN1GAA
SCHEMBL8505555 0.69 SLC6A3 (0.34) ALDH1A1RAB9AKMT2AMEN1GAA
SCHEMBL10911815 0.68 KMT2A (0.41) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9180026 0.68 SLC6A3 (0.36) ALDH1A1RAB9ANPC1KMT2AMEN1

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-0974580-B1 Omega-cycloalkyl-prostaglandin E1 derivatives ONO PHARMACEUTICAL CO (JP) 2002-06-05 EP disclosed
US-6235780-B1 ANTIHISTAMINE; VISION DEFECTS ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-22 US disclosed
EP-0974580-A1 Omega-cycloalkyl-prostaglandin E1 derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-26 EP disclosed