SCHEMBL7873027

SCHEMBL7873027

CC(C)(C)c1cc(C(C)(C)C)c2cc(C(c3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)[PH](O)(O)O)c(C(C)(C)C)cc2c1.c1ccc2c(OP(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
HPGD P15428 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7873019 0.84 KDM4E (0.32) KDM4EALDH1A1HSD17B10MAPK14CYP1A2
SCHEMBL7873022 0.81 KDM4E (0.33) KDM4EALDH1A1HSD17B10MAPK14CYP1A2
SCHEMBL2917485 0.80 CYP1A2 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7212870 0.74 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10MAPK14HPGD
SCHEMBL30913902 0.72 HSP90AA1 (0.30) CYP3A4HPGD
SCHEMBL2918869 0.71 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29696268 0.71 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9179446 0.71 CYP1A2 (0.34) CYP1A2
SCHEMBL6162752 0.71 CYP1A2 (0.34) CYP1A2
SCHEMBL19101270 0.70 KDM4E (0.35) KDM4EALDH1A1HSD17B10MAPK14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310260-B1 Separation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2001-10-30 US disclosed