SCHEMBL7735802

SCHEMBL7735802

CCOC(=O)COc1ccc(CCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
ABCB1 P08183 1/20 0.52
PTGDR2 Q9Y5Y4 5/20 0.49
SQOR Q9Y6N5 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
ESR1 P03372 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7735347 0.87 PTPN1 (0.55) PTPN1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL7735881 0.86 PTPN1 (0.56) PTPN1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL7724915 0.84 PTPN1 (0.48) PTPN1PTGDR2CYP4F2CYP4A11MAPT
SCHEMBL7725111 0.84 PTPN1 (0.56) PTPN1PTGDR2ALDH1A1KDM4E
SCHEMBL7734899 0.83 PTPN1 (0.55) PTPN1ALDH1A1KDM4E
SCHEMBL7735868 0.81 PTPN1 (0.58) PTPN1PTGDR2KMT2A
SCHEMBL27403097 0.81 PTPN1 (0.56) PTPN1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL7725041 0.81 ALDH1A1 (0.48) PTPN1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL27428215 0.81 PTPN1 (0.53) PTPN1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL7735390 0.81 PTPN1 (0.55) PTPN1ABCB1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed