SCHEMBL28890207

SCHEMBL28890207

CC(C)(C)CCc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
ELANE P08246 1/20 0.46
CYP19A1 P11511 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PPARA Q07869 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6445972 0.84 FOLH1 (0.59) FOLH1ALDH1A1KDM4ETSHR
SCHEMBL28423359 0.84 AKR1C3 (0.59) AKR1C3CYP19A1GAAMAPTL3MBTL1
SCHEMBL7252078 0.81 AKR1C3 (0.52) AKR1C3ELANECYP19A1GAAMAPT
SCHEMBL7991923 0.81 ALDH1A1 (0.44) FOLH1ALDH1A1KDM4ETSHR
SCHEMBL1995924 0.79 ALDH1A1 (0.42) MAPTFOLH1ALDH1A1KDM4EKMT2A
SCHEMBL28044280 0.79 AKR1C3 (0.53) AKR1C3CYP19A1GAAMAPTL3MBTL1
SCHEMBL5610138 0.79 AKR1C3 (0.53) AKR1C3CYP19A1GAAMAPTL3MBTL1
SCHEMBL28896023 0.79 GAA (0.47) AKR1C3ELANECYP19A1GAAMAPT
SCHEMBL29881091 0.78 AKR1C3 (0.57) AKR1C3ELANECYP19A1GAAMAPT
SCHEMBL723171 0.78 AKR1C3 (0.57) AKR1C3ELANECYP19A1GAAMAPT

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-107111231-B Photosensitive resin composition and adhesive composition 日产化学工业株式会社 2020-06-09 CN disclosed