SCHEMBL9618138

SCHEMBL9618138

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B1 P14061 1/20 0.41
OPRD1 P41143 1/20 0.41
MAPK1 P28482 3/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABBR2 O75899 1/20 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
SCHEMBL9636818 0.84 TSHR (0.48) MAPTHPGDKMT2ASMN1; SMN2OPRD1
SCHEMBL27752130 0.82 MAPT (0.43) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL9635272 0.79 RXRA (0.50) KMT2A
SCHEMBL26935634 0.77 HSD17B1 (0.52) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL182327 0.76 CYP2C9 (0.55) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL9683939 0.76 MAPT (0.50) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL10293030 0.76 MAPT (0.42) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL8466639 0.75 CA1 (0.54) MAPTHPGDLMNARAB9AKMT2A
SCHEMBL7934565 0.74 ESR1 (0.54) MAPTHPGDLMNARAB9AKMT2A
SCHEMBL1262317 0.74 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1

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
JP-4283521-A None JP disclosed
JP-H04283521-A PRODUCTION OF OLEFINS SAGAMI CHEM RES CENTER 1992-10-08 JP disclosed