SCHEMBL914280

SCHEMBL914280

O=C(O)c1c(Oc2ccc3ccccc3c2C(=O)O)ccc2ccccc12.[Zr]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP2C19 P33261 1/20 0.55
WDR5 P61964 1/20 0.47
NCEH1 Q6PIU2 7/20 0.46
METAP2 P50579 2/20 0.46
METAP1 P53582 1/20 0.46
LDHA P00338 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL3317320 0.96 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30874084 0.91 WDR5 (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9617692 0.91 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29138629 0.87 NR4A1 (0.54) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9617691 0.85 MEN1 (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL979842 0.84 CA12 (0.58) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4565436 0.84 HPGD (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27357244 0.84 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5403782 0.82 CA12 (0.56) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5404802 0.82 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098554-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-08-14 EP disclosed
EP-2098540-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-07-31 EP disclosed
US-8404785-B2 Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORPORATION (JP) 2013-03-26 US disclosed
US-8258241-B2 Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORPORATION (JP) 2012-09-04 US disclosed
US-20110015302-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2011-01-20 US disclosed
US-20100105827-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-04-29 US disclosed
US-20100016500-A1 PROCESS FOR PRODUCING MODIFIED POLYMER, MODIFIED POLYMER OBTAINED BY THE PROCESS, AND RUBBER COMPOSITION CONTAINING THE SAME JSR CORPORATION (JP) 2010-01-21 US disclosed
EP-2098554-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed
EP-2098540-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed
EP-2085419-A1 PROCESS FOR PRODUCING MODIFIED POLYMER, MODIFIED POLYMER OBTAINED BY THE PROCESS, AND RUBBER COMPOSITION CONTAINING THE SAME JSR Corporation (JP) 2009-08-05 EP disclosed