SCHEMBL31366720

SCHEMBL31366720

O=C(c1ccccc1)C1CCc2ccc(F)cc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.52
PIN1 Q13526 5/20 0.46
ACHE P22303 1/20 0.43
MCL1 Q07820 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HTR2C P28335 2/20 0.42
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
HSD11B1 P28845 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL599658 0.82 HSD17B10 (0.60) POLBHSD17B10GAAACHEMCL1
SCHEMBL29458361 0.82 HSD17B10 (0.60) POLBHSD17B10GAAACHEMCL1
SCHEMBL30335806 0.81 PIN1 (0.59) POLBHSD17B10GAAPIN1MCL1
SCHEMBL31366762 0.81 ACHE (0.50) PIN1ACHEHTTPARP1PARP10
SCHEMBL31366725 0.80 CYP19A1 (0.51) POLBHSD17B10GAAACHEMAPT
SCHEMBL7118501 0.78 ACHE (0.47) HSD17B10GAAPIN1ACHEMAPT
SCHEMBL15874862 0.75 CYP19A1 (0.56) ACHEHTR2CPARP1PARP10
SCHEMBL15874864 0.75 CYP19A1 (0.56) ACHEHTR2CPARP1PARP10
SCHEMBL23459934 0.75 ALDH1A1 (0.57) HSD17B10GAAPIN1ACHEMAPT
SCHEMBL28390141 0.73 ACHE (0.58) HSD17B10GAAACHEMAPTPARP1

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
CN-119431143-A Method for synthesizing beta-functionalized alpha-naphthol compound by beta-substituted alpha-tetralone 河北科技大学 2025-02-14 CN disclosed