SCHEMBL30799465

SCHEMBL30799465

O=C(c1cccs1)C1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.56
TSHR P16473 4/20 0.48
SLC18A3 Q16572 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11869023 0.81 TSHR (0.45) TSHRSLC18A3ALDH1A1GAANPC1
SCHEMBL28002431 0.77 PIN1 (0.66) PIN1TSHRHSD17B10GAA
SCHEMBL9541731 0.75 PIN1 (0.58) PIN1TSHR
SCHEMBL4830828 0.75 PIN1 (0.62) PIN1TSHRSLC18A3
SCHEMBL1400973 0.73 PIN1 (0.60) PIN1TSHR
SCHEMBL12431131 0.73 PIN1 (0.60) PIN1TSHR
SCHEMBL1567245 0.73 PIN1 (0.60) PIN1TSHR
SCHEMBL907688 0.73 PIN1 (0.60) PIN1TSHR
SCHEMBL2790690 0.73 PIN1 (0.60) PIN1TSHR
SCHEMBL12733130 0.72 PIN1 (0.77) PIN1

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-115894141-B Method for synthesizing acyl indene alkane derivative 贺州学院 2023-12-22 CN disclosed