SCHEMBL17060010

SCHEMBL17060010

CC(C)Oc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
PARP10 Q53GL7 1/20 0.47
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGDR Q13258 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GCK P35557 6/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL151012 0.96 KMT2A (0.64) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL1793963 0.89 KMT2A (0.53) KMT2AALDH1A1RXRARXRBKDM4E
SCHEMBL16726999 0.88 TPMT (0.57) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL2657806 0.88 KMT2A (0.56) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL18311267 0.88 KMT2A (0.56) KMT2AALDH1A1RXRARXRBKDM4E
SCHEMBL29784105 0.87 KMT2A (0.55) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL10794575 0.87 KMT2A (0.55) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL18311243 0.87 KMT2A (0.55) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL2657385 0.87 KMT2A (0.55) KMT2AALDH1A1RXRARXRBPARP10
SCHEMBL2666347 0.86 KMT2A (0.50) KMT2AALDH1A1RXRARXRBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111363541-A Zinc-based metal-organic framework long afterglow material and preparation method and application thereof 洛阳师范学院 2020-07-03 CN claimed
CN-111363541-A Zinc-based metal-organic framework long afterglow material and preparation method and application thereof 洛阳师范学院 2020-07-03 CN disclosed
CN-111363541-A Zinc-based metal-organic framework long afterglow material and preparation method and application thereof 洛阳师范学院 2020-07-03 CN disclosed
US-20200040141-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-02-06 US disclosed
EP-2915799-B1 POROUS POLYMER METAL COMPLEX, GAS ADSORBENT, GAS SEPARATION DEVICE AND GAS STORAGE DEVICE USING SAME NIPPON STEEL CORP (JP) 2019-10-16 EP disclosed
US-9630164-B2 Porous polymer metal complex, gas adsorbent, and gas separation device and gas storage device using same NIPPON STEEL & SUMITOMO METAL CORPORATION (JP) 2017-04-25 US disclosed
US-20170081466-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS NASA 2017-03-23 US disclosed
US-20150290618-A1 POROUS POLYMER METAL COMPLEX, GAS ADSORBENT, AND GAS SEPARATION DEVICE AND GAS STORAGE DEVICE USING SAME KYOTO UNIVERSITY (JP) 2015-10-15 US disclosed
EP-2915799-A1 POROUS POLYMER-METAL COMPLEX, GAS ADSORBENT, AND GAS SEPARATION DEVICE AND GAS STORAGE DEVICE USING SAME Nippon Steel & Sumitomo Metal Corporation (JP) 2015-09-09 EP disclosed