SCHEMBL11271707

SCHEMBL11271707

COc1ccc2c(c1)C=CC(C)(CC(=O)C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.34
POLA1 P09884 2/20 0.34
HSD11B1 P28845 1/20 0.34
ERCC5 P28715 2/20 0.33
FEN1 P39748 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6906401 0.90 HSD11B1 (0.40) RYR2POLA1HSD11B1HSD17B10PTGS1
SCHEMBL9436899 0.90 HSD11B1 (0.40) RYR2POLA1HSD11B1HSD17B10PTGS1
SCHEMBL31484123 0.90 HSD11B1 (0.40) RYR2POLA1HSD11B1HSD17B10PTGS1
SCHEMBL6909584 0.83 ALDH1A1 (0.40) HSD17B10SMN1; SMN2MEN1LMNAGAA
SCHEMBL14303312 0.74 HTR2C (0.38)
SCHEMBL4966926 0.73 HTR5A (0.40) GAA
SCHEMBL8801459 0.64 HTR2C (0.51) RYR2MEN1LMNATSHRKMT2A
SCHEMBL11471180 0.62 ATM (0.40) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
SCHEMBL1231040 0.61 BCL2 (0.42) HSD17B10
SCHEMBL6949352 0.61 AKR1C2 (0.47) MTNR1AHSD17B10PTGS1AKR1C3AKR1C2

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-57149242-A None JP disclosed
JP-S57149242-A PREPARATION OF (+)-2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID HAMARI YAKUHIN KOGYO KK 1982-09-14 JP disclosed