SCHEMBL8616908

SCHEMBL8616908

CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c1ccccc1C(=O)[O-].[Cu+2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
ATM Q13315 1/20 0.41
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RBP4 P02753 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL10955286 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL689420 0.96 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL22059 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
Zinc Ion SCHEMBL4737091 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL10955289 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL10960695 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL4787070 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL5565345 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL28528742 0.82 CA2 (0.42) ALDH1A1KDM4EHPGDTDP1TSHR
SCHEMBL1148444 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723075-A HEAT RESISTANT ABSORBERS WITH RESINS FOR SHIELDS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-03-03 US claimed
EP-0611754-B1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5723075-A HEAT RESISTANT ABSORBERS WITH RESINS FOR SHIELDS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-03-03 US disclosed
EP-0611754-A1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-08-24 EP disclosed