SCHEMBL30799272

SCHEMBL30799272

COc1cccc(C(=O)C2CCc3ccccc32)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
OPRM1 P35372 1/20 0.53
THRB P10828 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PPIB P23284 1/20 0.50
PPIA P62937 1/20 0.50
GID4 Q8IVV7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP1 P09874 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL30799429 0.85 PIN1 (0.64) PIN1KMT2AOPRM1CES2CES1
SCHEMBL5969956 0.80 KMT2A (0.87) MEN1KMT2AOPRM1THRBALDH1A1
SCHEMBL28002431 0.79 PIN1 (0.66) PIN1PPIBPPIATSHR
SCHEMBL31636008 0.78 CES2 (0.65) MEN1KMT2ACES2CES1SMN1; SMN2
SCHEMBL7309424 0.78 CES2 (0.65) MEN1KMT2ACES2CES1SMN1; SMN2
SCHEMBL11750065 0.78 MEN1 (0.46) PIN1MEN1KMT2AOPRM1THRB
SCHEMBL11750070 0.78 MEN1 (0.46) PIN1MEN1KMT2AOPRM1THRB
SCHEMBL30799226 0.77 PIN1 (0.56) PIN1MEN1KMT2ACES2CES1
SCHEMBL30799232 0.76 PIN1 (0.57) PIN1OPRM1PPIBPPIAALDH1A1
SCHEMBL18360283 0.75 KDM2B (0.62) MEN1KMT2ACES2CES1ALDH1A1

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