SCHEMBL30799420

SCHEMBL30799420

Cc1ccc2c(c1)C(C(=O)c1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.48
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PDE5A O76074 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM5 Q9NZQ8 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
SCHEMBL30799449 0.88 PIN1 (0.48) PIN1LMNAMCL1POLBGAA
SCHEMBL5155950 0.84 SIRT1 (0.46) PIN1
SCHEMBL30799618 0.82 TRPM8 (0.51) PIN1MCL1POLBGAAHSD17B10
SCHEMBL30335806 0.82 PIN1 (0.59) PIN1MCL1POLBGAAHSD17B10
SCHEMBL28002431 0.80 PIN1 (0.66) PIN1MCL1POLBGAAHSD17B10
SCHEMBL14915975 0.80 SIRT1 (0.47) PIN1HSD17B10
SCHEMBL30799691 0.78 KDM1A (0.48) PIN1LMNAMCL1CES2
SCHEMBL14310636 0.77 ANO1 (0.40) PIN1LMNAGAAMEN1KMT2A
SCHEMBL30799232 0.77 PIN1 (0.57) PIN1LMNAPPIBPPIA
SCHEMBL28295382 0.77 DRD2 (0.38) PIN1LMNAMEN1KMT2A

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