SCHEMBL30799449

SCHEMBL30799449

Cc1ccc2c(c1)CCC2C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.48
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
SRD5A1 P18405 2/20 0.42
PDE5A O76074 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 1/20 0.40
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

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
SCHEMBL30799420 0.88 PIN1 (0.48) PIN1LMNAMCL1PDE5ASMN1; SMN2
SCHEMBL13930553 0.84 SRD5A1 (0.46) PIN1SRD5A1PDE5APPARD
SCHEMBL28002431 0.80 PIN1 (0.66) PIN1MCL1POLBGAAHSD17B10
SCHEMBL14916357 0.80 SRD5A1 (0.44) PIN1SRD5A1PPARDHSD17B10
SCHEMBL23891587 0.79 SRD5A1 (0.42) PIN1SRD5A1PPARD
SCHEMBL18997707 0.77 SRD5A1 (0.43) PIN1SRD5A1PPARD
SCHEMBL30799232 0.77 PIN1 (0.57) PIN1LMNA
SCHEMBL11002624 0.75 SIRT1 (0.50) LMNASRD5A1PDE5APOLBHSD17B10
SCHEMBL23891684 0.74 SRD5A1 (0.40) PIN1SRD5A1
SCHEMBL14678664 0.73 LMNA (0.40) LMNA

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