SCHEMBL8535820

SCHEMBL8535820

CC(=O)C(CC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
HDAC1 Q13547 1/20 0.39
APAF1 O14727 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL8536624 0.83 ALDH1A1 (0.55) ALDH1A1LMNARECQLHSD17B10ALOX15
SCHEMBL8533950 0.78 ALDH1A1 (0.47) ALDH1A1LMNATDP1MAPTHDAC1
SCHEMBL8535121 0.77 ADRB2 (0.45) ALDH1A1TDP1MAPTNPC1NPSR1
SCHEMBL16042348 0.76 RXFP1 (0.44) ALDH1A1LMNAMAPK1TDP1NPC1
SCHEMBL8536465 0.74 ERCC5 (0.42) ALDH1A1NPC1RAB9ATHRBTSHR
SCHEMBL16043976 0.74 HSD11B1 (0.39) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL27498315 0.74 SLC7A5 (0.47) ALDH1A1NPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16042409 0.73 HTT (0.48) ALDH1A1HSD17B10MAPTNPC1RAB9A
SCHEMBL16042292 0.73 KMT2A (0.37) ALDH1A1LMNATHRBKMT2ASMN1; SMN2
SCHEMBL11014128 0.73 MAPT (0.58) ALDH1A1LMNARECQLHSD17B10ALOX15

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
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed