SCHEMBL7691950

SCHEMBL7691950

CC1(C)OC[C@H](Cc2ccc(Nc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
HPGD P15428 7/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GFER P55789 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 2/20 0.37
ALOX12 P18054 2/20 0.37

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
SCHEMBL6539853 0.91 NPC1 (0.44) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL6539755 0.91 NPC1 (0.44) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL6538741 0.86 PPARA (0.46) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL6538746 0.86 PPARA (0.46) MAPTHPGDRAB9AMEN1KMT2A
SCHEMBL6541438 0.83 CAPN1 (0.38) MAPTHPGDKMT2ASMN1; SMN2CYP3A4
SCHEMBL6541442 0.83 CAPN1 (0.38) MAPTHPGDKMT2ASMN1; SMN2CYP3A4
SCHEMBL6541226 0.83 ALDH1A1 (0.39) MAPTHPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL6541124 0.83 NAMPT (0.42) ALDH1A1HSD17B10
SCHEMBL6541119 0.83 NAMPT (0.42) ALDH1A1HSD17B10
SCHEMBL6541230 0.83 ALDH1A1 (0.39) MAPTHPGDTSHRSMN1; SMN2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed