SCHEMBL9067355

SCHEMBL9067355

C[CH]Oc1ccc(Br)cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.53
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 4/20 0.38
ACLY P53396 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CCR5 P51681 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PRNP P04156 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5827764 0.80 NPC1 (0.63) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL10341189 0.80 PTGDR2 (0.60) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL5718987 0.80 HTR7 (0.41) RAB9AALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL1224669 0.77 HTR7 (0.46) RAB9ALMNAALDH1A1MAPK1TDP1
SCHEMBL1156406 0.74 MAPK1 (0.58) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL5967718 0.73 PTGDR2 (0.57) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL22658118 0.72 PTGDR2 (0.53) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL9067356 0.72 PTGDR2 (0.65) PTGDR2NPC1TSHRRAB9ALMNA
SCHEMBL11297633 0.71 PTGDR2 (0.63) PTGDR2RAB9ALMNAALDH1A1CCR5
SCHEMBL19190198 0.71 PTPRC (0.56) PTGDR2NPC1TSHRRAB9ALMNA

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-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP disclosed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US disclosed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 EP disclosed