SCHEMBL7787787

SCHEMBL7787787

COc1ccc(C(NCCC2=CCCCC2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MCHR1 Q99705 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL7785644 0.83 RAB9A (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7780743 0.81 KMT2A (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7785650 0.78 KMT2A (0.50) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7789039 0.78 KMT2A (0.46) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7803820 0.78 RAB9A (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7785132 0.77 SIGMAR1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7787446 0.75 MAPT (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7785217 0.74 FAAH (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7785114 0.74 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7787584 0.73 MEN1 (0.49) ALDH1A1LMNAMAPTNPC1RAB9A

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed