SCHEMBL14947104

SCHEMBL14947104

Cc1ccc(C[C@H](C)C(=O)O)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PSMB8 P28062 2/20 0.47
PSMB5 P28074 2/20 0.47
FFAR1 O14842 3/20 0.46
TBXAS1 P24557 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PLA2G10 O15496 3/20 0.43
PLA2G2A P14555 3/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G5 P39877 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
PLA2G12B Q9BX93 1/20 0.43
PLA2G12A Q9BZM1 1/20 0.43
PLA2G2F Q9BZM2 1/20 0.43
PLA2G3 Q9NZ20 1/20 0.43
PLA2G2E Q9NZK7 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
CTSB P07858 1/20 0.42
POLB P06746 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL20272596 1.00 TDP1 (0.47) TDP1PSMB8PSMB5FFAR1TBXAS1
SCHEMBL13604872 0.86 ESR1 (0.53) TDP1FFAR1TBXAS1PLA2G10PLA2G2A
SCHEMBL12406009 0.86 KDM6B (0.49) TDP1FFAR1TBXAS1PLA2G10PLA2G2A
SCHEMBL17739986 0.85 PSMB5 (0.43) TDP1PSMB8PSMB5SMN1; SMN2CTSB
SCHEMBL12035913 0.84 AKR1C3 (0.44) FFAR1TBXAS1PLA2G10PLA2G2APLA2G1B
SCHEMBL391961 0.84 FFAR1 (0.47) TDP1FFAR1TBXAS1POLBLMNA
SCHEMBL14114904 0.82 PSMB8 (0.45) TDP1PSMB8PSMB5SMN1; SMN2CTSB
SCHEMBL11237591 0.82 TBXAS1 (0.59) FFAR1TBXAS1LDHAPTGS1PTGS2
SCHEMBL31561604 0.82 PSMB8 (0.48) TDP1PSMB8PSMB5CTSBPOLB
SCHEMBL12035920 0.80 EPHX2 (0.49) FFAR1TBXAS1PLA2G10PLA2G2APLA2G1B

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
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 US disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 US disclosed