SCHEMBL30799365

SCHEMBL30799365

CC(C)(C)c1ccc(C(=O)C2CCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 0.55
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPIB P23284 1/20 0.42
▸ PPIA P62937 1/20 0.42
▸ ANO1 Q5XXA6 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.42
▸ TAOK3 Q9H2K8 1/20 0.42

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
SCHEMBL28002431 0.82 PIN1 (0.66) PIN1GAAHTTPPIBPPIA
SCHEMBL27933389 0.80 PIN1 (0.59) PIN1LMNAMEN1KMT2AALDH1A1
SCHEMBL27914888 0.80 PIN1 (0.59) PIN1LMNAMEN1KMT2AALDH1A1
SCHEMBL25642142 0.80 PIN1 (0.59) PIN1LMNAMEN1KMT2AALDH1A1
SCHEMBL30799429 0.79 PIN1 (0.64) PIN1KMT2AALDH1A1GAAPPIB
SCHEMBL30799232 0.76 PIN1 (0.57) PIN1LMNAALDH1A1PPIBPPIA
SCHEMBL30799226 0.75 PIN1 (0.56) PIN1MEN1KMT2AALDH1A1PPIB
SCHEMBL25754226 0.74 KMT2A (0.48) PIN1LMNAMEN1KMT2AALDH1A1
SCHEMBL8848989 0.74 PIN1 (0.58) PIN1ANO1
SCHEMBL4742598 0.74 PIN1 (0.58) PIN1ANO1

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
Send feedback