SCHEMBL9800577

SCHEMBL9800577

C[C@@H](Cc1ccccc1)OC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.48
CHRM1 P11229 4/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL9800484 0.85 KMT2A (0.59) TSHRHSD17B10MEN1KMT2ANPSR1
SCHEMBL8909660 0.84 SRR (0.51) HPGDTSHRGAAMEN1KMT2A
SCHEMBL8682156 0.84 SRR (0.51) HPGDTSHRGAAMEN1KMT2A
SCHEMBL9359097 0.84 SRR (0.51) HPGDTSHRGAAMEN1KMT2A
SCHEMBL4002126 0.80 TSHR (0.46) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8681953 0.79 MEN1 (0.49) HPGDTSHRGAAMEN1KMT2A
SCHEMBL9354940 0.79 MEN1 (0.49) HPGDTSHRGAAMEN1KMT2A
SCHEMBL30826821 0.78 GRIN2B (0.54) HPGDTSHRGAAMEN1KMT2A
SCHEMBL27630775 0.78 HSD17B10 (0.75) HPGDTSHRGAAHSD17B10CHRM1
SCHEMBL26802538 0.78 HSD17B10 (0.75) HPGDTSHRGAAHSD17B10CHRM1

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
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed