SCHEMBL9345918

SCHEMBL9345918

CC(=O)c1ccc(C(C)C(=O)O)cc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.51
AKR1C2 P52895 11/20 0.51
PTGS2 P35354 9/20 0.49
PTGS1 P23219 8/20 0.49
SLC22A6 Q4U2R8 3/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HIF1A Q16665 2/20 0.46
FABP2 P12104 1/20 0.46
AKR1C4 P17516 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL2878153 0.85 ALDH1A1 (0.49) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL1679635 0.85 AKR1C3 (0.49) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL9350089 0.83 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL20240085 0.82 MEN1 (0.61) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL29279726 0.80 UGT2B7 (0.44) AKR1C3AKR1C2MEN1KMT2AHPGD
SCHEMBL30744065 0.80 UGT2B7 (0.44) AKR1C3AKR1C2MEN1KMT2AHPGD
SCHEMBL1679355 0.77 CYP2C19 (0.66) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL59197 0.76 PTGS2 (0.74) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL13144265 0.76 ALDH1A1 (0.47) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL11090811 0.74 KMT2A (0.53) AKR1C3AKR1C2PTGS2PTGS1SLC22A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN claimed
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN disclosed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN disclosed
EP-0333522-B1 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 EP disclosed