SCHEMBL9067356

SCHEMBL9067356

[CH2]COc1ccc(Br)cc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.65
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
PTGER1 P34995 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
AGPAT2 O15120 1/20 0.37
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37
SLC6A9 P48067 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL11297633 0.81 PTGDR2 (0.63) PTGDR2RAB9APTGER1LMNAALDH1A1
SCHEMBL10341189 0.80 PTGDR2 (0.60) PTGDR2RAB9ANPC1TSHRLMNA
SCHEMBL5718989 0.80 MAPK1 (0.52) RAB9ALMNAMAPK1ALDH1A1TP53
SCHEMBL4972694 0.79 PTGDR2 (1.00) PTGDR2TSHRPOLB
SCHEMBL533964 0.77 MAPK1 (0.58) RAB9ALMNAMAPK1ALDH1A1TP53
SCHEMBL5827764 0.77 NPC1 (0.63) PTGDR2RAB9ANPC1TSHRLMNA
SCHEMBL10824915 0.75 PTGDR2 (0.56) PTGDR2RAB9ANPC1TSHRPTGER1
SCHEMBL1156407 0.74 MAPK1 (0.58) RAB9ANPC1TSHRLMNAMAPK1
SCHEMBL22658118 0.72 PTGDR2 (0.53) PTGDR2RAB9ANPC1TSHRPTGER1
SCHEMBL9067355 0.72 PTGDR2 (0.53) PTGDR2RAB9ANPC1TSHRLMNA

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