SCHEMBL8669727

SCHEMBL8669727

O=C(O)CCc1ccc(-c2ccccc2)c2c(C(=O)O)c3ccccc3nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.43
PDE10A Q9Y233 5/20 0.43
LTB4R Q15722 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL8677313 0.85 SMN1; SMN2 (0.48) DHODHPDE10ALMNATSHRPTGER1
SCHEMBL8668145 0.81 PSMB8 (0.42) DHODHPDE10ALTB4RLMNATSHR
SCHEMBL9424812 0.77 PARP1 (0.46) DHODHPDE10ALMNATSHRPTGER1
SCHEMBL5181472 0.76 FFAR1 (0.49) PDE10ALMNAPTGER1PTGER4PTGER3
SCHEMBL10476973 0.73 DHODH (0.54) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL28250067 0.72 DHODH (0.61) DHODHPDE10ALMNATSHRPARP1
SCHEMBL8479912 0.70 PTGER4 (0.70) PTGER1PTGER4PTGER3PTGER2
SCHEMBL24276933 0.69 HDAC6 (0.46) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL10671292 0.69 PDE10A (0.58) DHODHPDE10ALTB4RLMNATSHR
SCHEMBL31212507 0.69 PTGER4 (0.77) PTGER1PTGER4PTGER3PTGER2

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-5837452-A HEATING CELLS IN SOLUTION CONTAINING NONIONIC SURFACTANT DETERGENT AND CHELATE COMPOUND GEN-PROBE INCORPORATED (US) 1998-11-17 US disclosed
WO-1994028420-A1 METHOD OF DETECTION OF BACTERIA RHONE POULENC DIAGNOSTICS LTD (GB) 1994-12-08 WO disclosed