SCHEMBL9790477

SCHEMBL9790477

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B1 P14061 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 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
SCHEMBL28552410 0.84 ALDH1A1 (0.46) MAPTHPGDLMNARAB9ANPSR1
SCHEMBL7758668 0.83 TSHR (0.52) HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17319344 0.82 MAPT (0.48) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL1262317 0.82 MAPT (0.48) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL6839350 0.81 KDM4E (0.46) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL14667562 0.80 MAPT (0.46) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL182327 0.79 CYP2C9 (0.55) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL9683939 0.79 MAPT (0.50) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL527583 0.79 MAPT (0.50) MAPTHPGDLMNAL3MBTL1RAB9A
SCHEMBL14217151 0.78 MAPT (0.45) MAPTHPGDLMNAL3MBTL1RAB9A

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
JP-3294241-A None JP disclosed
JP-H03294241-A ALPHA-(4-(1-HYDROXY-2-METHYLPROPYL)PHENYL) ETHANOL NIPPON PETROCHEM CO LTD 1991-12-25 JP disclosed
US-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed