SCHEMBL7804231

SCHEMBL7804231

Nc1c(O)c(F)c(Oc2ccc(C(=O)O)cc2)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
PARP15 Q460N3 2/20 0.47
PARP10 Q53GL7 2/20 0.47
HSD17B10 Q99714 1/20 0.44
SRD5A2 P31213 4/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
NR4A2 P43354 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7800107 0.94 HPGD (0.51) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL8374930 0.88 MMP2 (0.51) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL24407671 0.85 HPGD (0.63) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL7800430 0.85 HPGD (0.43) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL8373744 0.84 MMP2 (0.47) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL505361 0.84 HPGD (0.69) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL8373747 0.82 HPGD (0.41) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL4621776 0.80 HPGD (0.65) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL7658168 0.76 HPGD (0.50) HPGDHTTPARP15PARP10HSD17B10
SCHEMBL7795677 0.75 ESR1 (0.41) HPGDHTTHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199551-A None JP disclosed
EP-0905170-B1 Polybenzoxazoles and polybenzothiazoles precursors QIMONDA AG (DE) 2013-10-30 EP disclosed
EP-0905124-B1 o-amino(thio)phenol-carboxylic acids and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 EP disclosed
US-6096921-A USED FOR THE PREPARATION OF HIGH-TEMPERATURE-STABLE POLYMERS, SUCH AS POLYBENZOXAZOLES AND POLYBENZTHIAZOLES SIEMENS AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-5998662-A O-amino (thio) phenolcarboxylic acids and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-12-07 US disclosed
JP-H11199551-A ORTHO-AMINO(THIO)PHENOLCARBOXYLIC ACID AND ITS PRODUCTION SIEMENS AG 1999-07-27 JP disclosed
EP-0905124-A1 o-amino(thio)phenol-carboxylic acids and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed
EP-0905170-A2 Polybenzoxazoles and polybenzothiazoles precursors SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed