SCHEMBL5487857

SCHEMBL5487857

CCc1cccc(C=C(C)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
TBXAS1 P24557 4/20 0.56
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC9A1 P19634 1/20 0.44
SLC9A3 P48764 1/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
BCL2 P10415 1/20 0.44
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS2 P35354 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL20424877 1.00 AKR1C3 (0.59) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL21192729 0.87 AKR1C3 (0.56) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL1410892 0.87 AKR1C3 (0.59) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL1410889 0.87 AKR1C3 (0.59) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL8746678 0.84 AKR1C3 (0.76) AKR1C3TBXAS1ALDH1A1SLC9A1SLC9A3
SCHEMBL8746676 0.84 AKR1C3 (0.76) AKR1C3TBXAS1ALDH1A1SLC9A1SLC9A3
SCHEMBL4212118 0.82 BCL2 (0.43) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL2440950 0.81 TBXAS1 (0.41) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL2440953 0.81 TBXAS1 (0.41) AKR1C3TBXAS1ALDH1A1NPC1RAB9A
SCHEMBL28893987 0.81 KMT2A (0.50) TBXAS1ALDH1A1SLC9A1SLC9A3SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517571-A1 (METH)ACRYLIC COPOLYMER, RESIN COMPOSITION, MOLDED BODY OF SAME, AND METHOD FOR PRODUCING MOLDED BODY Mitsubishi Gas Chemical Company, Inc. (JP) 2019-07-31 EP disclosed
US-20070172772-A1 Microlens OMRON CORPORATION (JP) 2007-07-26 US disclosed