SCHEMBL4621776

SCHEMBL4621776

O=C(O)c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(=O)O)cc4)c(F)c3F)c(F)c2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
PARP15 Q460N3 1/20 0.52
PARP10 Q53GL7 1/20 0.52
SRD5A2 P31213 4/20 0.50
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NR4A2 P43354 1/20 0.44
KMT2A Q03164 1/20 0.43
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42
PKM P14618 1/20 0.42
TTR P02766 1/20 0.42

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
SCHEMBL505361 0.92 HPGD (0.69) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL24407671 0.87 HPGD (0.63) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL7800107 0.85 HPGD (0.51) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL7658168 0.84 HPGD (0.50) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL15908264 0.84 HSD17B10 (0.50) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL31124426 0.82 HPGD (0.61) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL7804231 0.80 HPGD (0.56) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL505520 0.78 LPAR1 (0.68) HPGDHTTPARP15PARP10SRD5A2
SCHEMBL6567615 0.77 POLB (0.50) HPGDHTTHSD17B10KMT2A
SCHEMBL5581520 0.77 PARP10 (0.78) HPGDPARP15PARP10SRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905169-B1 Precursors of polybenzoxazoles and polybenzothiazoles INFINEON TECHNOLOGIES AG (DE) 2008-04-02 EP disclosed
US-6153350-A Polybenzoxazole and polybenzothiazole precursors SIEMENS AKTIENGESELLSCHAFT (DE) 2000-11-28 US disclosed
EP-0905169-A2 Precursors of polybenzoxazoles and polybenzothiazoles SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed