SCHEMBL6904219

SCHEMBL6904219

Cc1ccc(C(=O)O)c(CC2CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4C Q9H3R0 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.36
CLCN2 P51788 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
SCHEMBL27363176 0.84 ALDH1A1 (0.42) KDM4EHTTCA12CA1CA2
SCHEMBL8991531 0.83 ALDH1A1 (0.46) CA12CA1CA2CA6CA7
SCHEMBL8847022 0.81 KDM4E (0.41) KDM4EMEN1KMT2AAPEX1
SCHEMBL5670722 0.78 MCL1 (0.39) MCL1
SCHEMBL2131334 0.77 GABRP (0.36) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL2289368 0.77 FOLH1 (0.49) KDM4EHTTCA12CA1CA2
SCHEMBL8898161 0.77 ALDH1A1 (0.50) HTTMAOBMEN1KMT2AALDH1A1
SCHEMBL1202284 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL2967503 0.77 ALDH1A1 (0.50) HTTMAOBMEN1KMT2AALDH1A1
SCHEMBL14762196 0.77 ALDH1A1 (0.50) HTTMAOBMEN1KMT2AALDH1A1

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
US-11117312-B2 Method for manufacturing a three-dimensional structure MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-14 US disclosed
US-20210060851-A1 METHOD FOR MANUFACTURING THREE-DIMENSIONAL STRUCTURE, AND 3D PRINTER FILAMENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-04 US disclosed
US-20040242803-A1 Resin composition and molded article, film, and fiber each comprising the same TORAY INDUSTRIES, INC. (JP) 2004-12-02 US disclosed