SCHEMBL7640191

SCHEMBL7640191

CC(C)(C)c1cc(C(C)(C)C)c([PH](O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 4/20 0.40
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
HSP90AA1 P07900 1/20 0.38
CA2 P00918 4/20 0.37
CA1 P00915 2/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TYR P14679 3/20 0.36
POLB P06746 2/20 0.36
GABBR2 O75899 1/20 0.35

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
SCHEMBL28891370 0.89 POLB (0.41) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL9304980 0.84 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL29131685 0.80 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL1664851 0.80 ALDH1A1 (0.58) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL8356245 0.79 POLB (0.38) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
Lithium Ion SCHEMBL3626995 0.77 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL35141 0.74 CA2 (0.67) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
SCHEMBL6510511 0.72 CYP2C9 (0.36) GABRA1GABRB2CYP1A2SMN1; SMN2CYP2C9
SCHEMBL7177257 0.72 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ALOX15CYP1A2
Hydrochloric Acid SCHEMBL8985485 0.72 GABRA1 (0.46) GABRA1GABRB2ALDH1A1ALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856526-B1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 2002-08-28 EP disclosed
US-6313225-B2 High melt tension, high crystallization temperature; hollow moldings CHISSO CORPORATION (JP) 2001-11-06 US disclosed