SCHEMBL7973447

SCHEMBL7973447

C[C@H](C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 3/20 0.44
GRM7 Q14831 2/20 0.44
MAPK1 P28482 2/20 0.44
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44

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
SCHEMBL29273241 1.00 PTGS2 (0.52) PTGS2CES2CES1CYP2D6SRC
SCHEMBL851630 1.00 PTGS2 (0.52) PTGS2CES2CES1CYP2D6SRC
SCHEMBL25287081 0.98 PTGS2 (0.50) PTGS2CES2CES1CYP2D6SRC
Boric Acid SCHEMBL28990244 0.94 PTGS2 (0.47) PTGS2CES2CES1CYP2D6SRC
Lithium Ion SCHEMBL30668805 0.90 PTGS2 (0.44) PTGS2CES2CES1CYP2D6SRC
Lithium Ion SCHEMBL30276146 0.88 PTGS2 (0.43) PTGS2CES2CES1CYP2D6FAAH
SCHEMBL11738135 0.87 PTGS2 (0.71) PTGS2MAPTSMN1; SMN2
SCHEMBL9577330 0.84 CYP2C9 (0.52) PTGS2CYP2D6LMNAMAPK1ADRB3
SCHEMBL10443247 0.82 PTGS1 (0.54) PTGS2CYP2D6LMNAPTGS1SMN1; SMN2
SCHEMBL11450473 0.82 LMNA (0.50) PTGS2LMNAADRB3HTR2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113687010-B Method for accurately distinguishing echinoid-intermediate ball echinoid from commercial gonad of echinoid 大连海洋大学 2023-09-15 CN claimed
CN-113687010-B Method for accurately distinguishing echinoid-intermediate ball echinoid from commercial gonad of echinoid 大连海洋大学 2023-09-15 CN disclosed
CN-110607289-B Amino acid dehydrogenase and application thereof 厦门大学 2021-07-09 CN disclosed
CN-112708612-A Oxidoreductase electrode for enzyme electrocatalytic reduction, preparation method thereof and enzyme electric reactor thereof 厦门大学 2021-04-27 CN disclosed
CN-110592037-B Phenylalanine dehydrogenase for catalyzing and preparing unnatural amino acid and application thereof 厦门大学 2021-03-30 CN disclosed
CN-110607289-A Amino acid dehydrogenase and application thereof 厦门大学 2019-12-24 CN disclosed
CN-110592037-A Phenylalanine dehydrogenase for catalyzing and preparing unnatural amino acid and application thereof 厦门大学 2019-12-20 CN disclosed
US-6218406-B1 AS ANTITUMOR AND ANTILEUKEMIC AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-17 US disclosed
US-6124465-A Farnesyl transferase inhibitors, their preparation, the pharmaceutical compositions which contain them and their use in the preparation of medicaments RHONE-POULENC S.A. (FR) 2000-09-26 US disclosed