SCHEMBL2129997

SCHEMBL2129997

O=C(O)c1c(F)c(F)c(Oc2ccc(C(c3ccc(Oc4c(F)c(F)c(C(=O)O)c(C(=O)O)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
PPARG P37231 2/20 0.34
THRB P10828 3/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL29406697 0.86 HPGD (0.51) HPGDHTTHSD17B10CA12CA1
SCHEMBL19809299 0.86 HPGD (0.51) HPGDHTTHSD17B10CA12CA1
SCHEMBL2131590 0.84 HTT (0.46) HPGDHTTHSD17B10CA12CA1
SCHEMBL28900663 0.79 CA12 (0.53) HPGDHTTHSD17B10CA12CA1
SCHEMBL14005715 0.79 HPGD (0.40) HPGDHTTHSD17B10ESR1ESR2
SCHEMBL10013732 0.78 ESR1 (0.39) HPGDHTTHSD17B10ESR1ESR2
SCHEMBL26037688 0.76 MAPT (0.39) HPGDHTTHSD17B10ESR1ESR2
SCHEMBL6727277 0.75 PARP10 (0.39) HPGDHTTHSD17B10MEN1LMNA
SCHEMBL31049518 0.75 THRB (0.44) HPGDHTTESR1PPARGTHRB
SCHEMBL1636048 0.74 PARP15 (0.55) HPGDHTTHSD17B10ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101213-A1 HIGHLY WATER-REPELLENT POLYIMIDE FOR COPIER MEMBER, AND POLYAMIC ACID COMPOSITION NIPPON SHOKUBAI CO, LTD (JP) 2012-04-26 US disclosed